SCHEMBL368530

SCHEMBL368530

C=CCC(CCCC)S(=O)(=O)Cl

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
MMP1 P03956 3/20 0.32
MMP7 P09237 3/20 0.32
MMP12 P39900 3/20 0.32
MMP13 P45452 3/20 0.32
ACE P12821 2/20 0.32
FAAH O00519 1/20 0.30

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
SCHEMBL15825362 0.84 TSHR (0.36) TSHRALDH1A1SMN1; SMN2MMP1MMP7
SCHEMBL11652838 0.82 TSHR (0.34) TSHRALDH1A1SMN1; SMN2MMP1MMP7
SCHEMBL27289489 0.81 TP53 (0.37) TSHRSMN1; SMN2MMP1MMP7MMP12
SCHEMBL3365927 0.81 CA2 (0.36) TSHRALDH1A1SMN1; SMN2
SCHEMBL8458904 0.81 MMP1 (0.35) TSHRALDH1A1SMN1; SMN2MMP1MMP7
SCHEMBL88231 0.81 TP53 (0.37) TSHRALDH1A1SMN1; SMN2MMP1MMP7
Ammonia Solution, Strong SCHEMBL1646990 0.79 TP53 (0.36) TSHRALDH1A1SMN1; SMN2MMP1MMP7
SCHEMBL7125310 0.79 MMP1 (0.34) TSHRALDH1A1SMN1; SMN2MMP1MMP7
SCHEMBL9514472 0.79 MMP1 (0.34) TSHRALDH1A1SMN1; SMN2MMP1MMP7
SCHEMBL14892962 0.77 TP53 (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114456181-A Preparation method of luccotinib 浙江乐普药业股份有限公司 2022-05-10 CN claimed
WO-2006095359-A1 SYNTHESIS OF 2-DEOXY-2, 2-DI FLUORO-D-RIBO FURANOSE-3, 5 DI(4-METHY/4-NITRO-CHLORO)BENZOATE AND ITS CONVERSION TO GEMCITABINE HYDROCHLORIDE THEREOF SMS PHARMACEUTICALS LIMITED (IN) 2006-09-14 WO claimed
EP-0077330-A4 EMULSIFYING ADDITIVE FOR OIL BASE DRILLING FLUIDS AND METHOD. OBI HUGHES INC (US) 1983-08-24 EP claimed
EP-0077330-A1 EMULSIFYING ADDITIVE FOR OIL BASE DRILLING FLUIDS AND METHOD OBI-HUGHES, INC. (US) 1983-04-27 EP claimed
WO-1982003389-A1 EMULSIFYING ADDITIVE FOR OIL BASE DRILLING FLUIDS AND METHOD BARTHEL HORST K F 1982-10-14 WO claimed
CN-114456181-A Preparation method of luccotinib 浙江乐普药业股份有限公司 2022-05-10 CN disclosed
US-20220119407-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS INC (US) 2022-04-21 US disclosed
US-11053195-B2 Compounds and uses thereof for the modulation of hemoglobin GLOBAL BLOOD THERAPEUTICS, INC. (US) 2021-07-06 US disclosed
US-20190202782-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS, INC. 2019-07-04 US disclosed
US-10315991-B2 Compounds and uses thereof for the modulation of hemoglobin GLOBAL BLOOD THERAPEUTICS, INC. (US) 2019-06-11 US disclosed
US-20180201577-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS, INC. 2018-07-19 US disclosed
US-9981939-B2 Compounds and uses thereof for the modulation of hemoglobin GLOBAL BLOOD THERAPEUTICS, INC. (US) 2018-05-29 US disclosed
US-20040044025-A1 Processes for the preparation of antiviral 7-azaindole derivatives BRISTOL-MYERS SQUIBB COMPANY 2004-03-04 US disclosed
WO-2003082289-A1 PROCESS FOR THE PREPARATION OF ANTIVIRAL 7-AZAINDOLE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2003-10-09 WO disclosed
EP-0712576-A1 Antifouling agent ASAHI DENKA KOGYO KABUSHIKI KAISHA (JP) 1996-05-22 EP disclosed
US-5472483-A Polysulfide compounds with carriers for protective coating of underwater structures ASAHI DENKA KOGYO KABUSHIKI KAISHA (JP) 1995-12-05 US disclosed
EP-0077330-A4 EMULSIFYING ADDITIVE FOR OIL BASE DRILLING FLUIDS AND METHOD. OBI HUGHES INC (US) 1983-08-24 EP disclosed
EP-0077330-A1 EMULSIFYING ADDITIVE FOR OIL BASE DRILLING FLUIDS AND METHOD OBI-HUGHES, INC. (US) 1983-04-27 EP disclosed
WO-1982003389-A1 EMULSIFYING ADDITIVE FOR OIL BASE DRILLING FLUIDS AND METHOD BARTHEL HORST K F 1982-10-14 WO disclosed
US-4101468-A Process for cold-hardening polyurethane foams using sulfonamide emulsifiers BAYER AKTIENGESELLSCHAFT (DE) 1978-07-18 US 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 (6 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-20040044025-A1 Processes for the preparation of antiviral 7-azaindole derivatives IMPDH1, MAVS, ZC3HAV1 TSHR 4520/4885ALDH1A1 498/4885SMN1; SMN2 3419/4885
US-20220119407-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN HBG2, HBG1, HBB TSHR 3518/4885ALDH1A1 1089/4885SMN1; SMN2 1176/4885
US-20180201577-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN HBG2, HBG1, HBB TSHR 3518/4885ALDH1A1 1089/4885SMN1; SMN2 1176/4885
US-10315991-B2 Compounds and uses thereof for the modulation of hemoglobin HBG2, HBG1, HBB TSHR 3518/4885ALDH1A1 1089/4885SMN1; SMN2 1176/4885
US-11053195-B2 Compounds and uses thereof for the modulation of hemoglobin HBG2, HBG1, HBB TSHR 3518/4885ALDH1A1 1089/4885SMN1; SMN2 1176/4885
US-20190202782-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN HBG2, HBG1, HBB TSHR 3518/4885ALDH1A1 1089/4885SMN1; SMN2 1176/4885

“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.