SCHEMBL80946

SCHEMBL80946

OCC#Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.54
CYP1A1 P04798 1/20 0.54
CYP1B1 Q16678 1/20 0.54
MMP2 P08253 2/20 0.49
MMP12 P39900 1/20 0.49
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
THPO P40225 1/20 0.45
POLB P06746 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KCNH2 Q12809 1/20 0.44
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
ALDH1A1 P00352 2/20 0.43
MMP13 P45452 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
MMP3 P08254 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9672111 0.91 MMP2 (0.50) CYP1A2CYP1A1CYP1B1MMP2MMP12
SCHEMBL487492 0.86 CYP1A2 (0.58) CYP1A2MMP2MMP12KDM4ELMNA
SCHEMBL26668449 0.85 MMP2 (0.48) MMP2MMP12ALDH1A1MMP13MMP3
SCHEMBL17616892 0.84 MMP2 (0.46) CYP1A2CYP1A1CYP1B1MMP2MMP12
SCHEMBL26668399 0.84 MMP2 (0.55) MMP2MMP12KDM4ELMNAPOLB
SCHEMBL6446069 0.83 MMP2 (0.55) CYP1A2MMP2MMP12KDM4ELMNA
SCHEMBL2161747 0.83 CYP1A2 (0.50) CYP1A2CYP1A1CYP1B1MMP2CYP3A4
SCHEMBL10453876 0.83 MMP3 (0.50) MMP2MMP12MMP3BCL2L1APP
SCHEMBL11485198 0.82 ALDH1A1 (0.44) CYP1A2MMP2MMP12KDM4ELMNA
SCHEMBL11557111 0.81 MMP2 (0.43) CYP1A2CYP1A1CYP1B1MMP2MMP12

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117466790-B Preparation method of alpha-sulfinylated carbonyl compound 西北师范大学 2024-05-28 CN claimed
CN-117466790-A Preparation method of alpha-sulfinylated carbonyl compound 西北师范大学 2024-01-30 CN claimed
CN-117466790-B Preparation method of alpha-sulfinylated carbonyl compound 西北师范大学 2024-05-28 CN disclosed
CN-117466790-A Preparation method of alpha-sulfinylated carbonyl compound 西北师范大学 2024-01-30 CN disclosed
CN-110483400-B Preparation method of pyrazole derivative 上海应用技术大学 2023-04-28 CN disclosed
CN-110467514-B Preparation method of alpha-halogenated unsaturated aldehyde ketone 上海应用技术大学 2023-03-28 CN disclosed
CN-110483430-B Preparation method of isoxazole derivative 上海应用技术大学 2023-02-10 CN disclosed
US-10829464-B2 Benzoheterocyclic alkylamine compounds and use thereof EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2020-11-10 US disclosed
US-20190315703-A1 BENZOHETEROCYCLIC ALKYLAMINE COMPOUNDS AND USE THEREOF EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2019-10-17 US disclosed
EP-3546454-A1 BENZOHETEROCYCLYL ALKYLAMINE COMPOUND AND USE THEREOF East China University of Science and Technology (CN) 2019-10-02 EP disclosed
WO-2018095287-A1 BENZOHETEROCYCLYL ALKYLAMINE COMPOUND AND USE THEREOF 华东理工大学 2018-05-31 WO disclosed
US-20040063777-A1 3-Substituted-3-(substitutedsulfonyl or sulfanyl)pyrrolidine-2,5-diones useful for inhibition of farnesyl-protein transferase WYETH HOLDINGS CORPORATION 2004-04-01 US disclosed
US-20040063971-A1 3-substituted-3-(substitutedsulfonyl or sulfanyl) pyrrolidine-2,5-diones useful for inhibition of farnesyl-protein transferase WYETH HOLDINGS CORPORATION 2004-04-01 US disclosed
WO-2004007469-A1 NEW ALKYNYLATED QUINAZOLIN COMPOUNDS AS MMP-13 INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-01-22 WO disclosed
US-6605628-B1 Treatment of ras oncogene-dependent tumors; controlling metastasis, suppressing angiogenesis, inducing apoptosis WYETH HOLDINGS CORPORATION 2003-08-12 US disclosed
US-20030149063-A1 5-(arylsulfonyl)-,5-(arylsulfinyl), and 5-(arylsulfanyl)-thiazolidine-2,4-diones useful for inhibition of farnesyl-protein transferase AMERICAN CYANAMID COMPANY 2003-08-07 US disclosed
US-20030144301-A1 Method of using 5-(arysulfonyl)-, 5-(arylsulfanyl)-and 5-(arylsulfanyl)thiazolidine-2,4-diones for inhibition of farnesyl-protein transferase AMERICAN CYANAMID COMPANY (US) 2003-07-31 US disclosed
US-20030083364-A1 3-Substituted-3-(substitutedsulfonyl or sulfanyl)pyrroldine-2,5-diones useful for inhibition of farnesyl-protein transferase AMERICAN CYANAMID COMPANY 2003-05-01 US disclosed
WO-2003033478-A1 ALKYNYLATED FUSED RING PYRIMIDINE COMPOUNDS AS MATRIX METALLOPROTEASE-13 INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2003-04-24 WO disclosed
WO-2003018135-A1 METHOD OF USING 5-(ARYLSULFONYL)-,5-(ARYLSULFINYL), AND 5-(ARYLSULFANYL)-THIAZOLIDINE-2,4-DIONES FOR INHIBITION OF FARNESYL-PROTEIN TRANSFERASE WYETH HOLDINGS CORPORATION (US) 2003-03-06 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030144301-A1 Method of using 5-(arysulfonyl)-, 5-(arylsulfanyl)-and 5-(arylsulfanyl)thiazolidine-2,4-diones for inhibition of farnesyl-protein transferase FNTB, FNTA, TST CYP1A2 1906/4885CYP1A1 1824/4885CYP1B1 1238/4885
US-20040063777-A1 3-Substituted-3-(substitutedsulfonyl or sulfanyl)pyrrolidine-2,5-diones useful for inhibition of farnesyl-protein transferase FNTA, FNTB, FDPS CYP1A2 2159/4885CYP1A1 1638/4885CYP1B1 1020/4885
US-20030149063-A1 5-(arylsulfonyl)-,5-(arylsulfinyl), and 5-(arylsulfanyl)-thiazolidine-2,4-diones useful for inhibition of farnesyl-protein transferase FNTB, FNTA, NAT1 CYP1A2 1353/4885CYP1A1 780/4885CYP1B1 678/4885
US-10829464-B2 Benzoheterocyclic alkylamine compounds and use thereof AADAC, AAAS, NISCH CYP1A2 1004/4885CYP1A1 1450/4885CYP1B1 347/4885
US-20030083364-A1 3-Substituted-3-(substitutedsulfonyl or sulfanyl)pyrroldine-2,5-diones useful for inhibition of farnesyl-protein transferase FNTA, FNTB, FDPS CYP1A2 1968/4885CYP1A1 1574/4885CYP1B1 691/4885
US-20190315703-A1 BENZOHETEROCYCLIC ALKYLAMINE COMPOUNDS AND USE THEREOF AADAC, AAAS, NISCH CYP1A2 1004/4885CYP1A1 1450/4885CYP1B1 347/4885
US-20040063971-A1 3-substituted-3-(substitutedsulfonyl or sulfanyl) pyrrolidine-2,5-diones useful for inhibition of farnesyl-protein transferase FNTA, FNTB, FDPS CYP1A2 2159/4885CYP1A1 1638/4885CYP1B1 1020/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.