SCHEMBL528982

SCHEMBL528982

NC(=O)c1ccc2c(c1)COO2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.51
HTR1A P08908 2/20 0.40
HTR1D P28221 2/20 0.40
HTR2C P28335 2/20 0.40
KDM1A O60341 2/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
LCK P06239 1/20 0.38
CASP3 P42574 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
PRKCI P41743 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
PARP1 P09874 2/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
HSD17B3 P37058 1/20 0.35

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
SCHEMBL7400521 0.84 TSHR (0.54) TSHRHTR1AHTR1DHTR2CKDM1A
SCHEMBL3862277 0.84 ALDH1A1 (0.50) TSHRCA1CA2KDM4EALDH1A1
SCHEMBL11696154 0.82 NPC1 (0.50) NPC1RAB9ACA1CA2KDM4E
SCHEMBL3642753 0.79 TSHR (0.53) TSHRHTR1AHTR1DHTR2CKDM1A
SCHEMBL11696436 0.78 ATM (0.55) TSHRSMN1; SMN2ALDH1A1
SCHEMBL11841323 0.78 HDAC8 (0.42) TSHRNPC1RAB9ASMN1; SMN2
SCHEMBL11692745 0.78 ALDH1A1 (0.55) TSHRNPC1RAB9ASMN1; SMN2CA1
SCHEMBL11693909 0.78 KDM4E (0.46) TSHRNPC1RAB9ACASP3SMN1; SMN2
Benzamide SCHEMBL1395144 0.76 PARP1 (0.53) TSHRNPC1RAB9ACASP3SMN1; SMN2
SCHEMBL7434437 0.76 TSHR (0.49) TSHRHTR1AHTR1DHTR2CKDM1A

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115974856-A Preparation method of medicine of vatistal for treating adult T cell leukemia lymphoma 北京康立生医药技术开发有限公司 2023-04-18 CN claimed
CN-110191722-A Pharmaceutical composition for treating HTLV-1 related myelopathy 第一三共株式会社 2019-08-30 CN claimed
US-9382197-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-07-05 US claimed
WO-2012014127-A1 5-LIPOXYGENASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-02-02 WO claimed
US-20110123434-A1 COMBINATION THERAPIES COMPRISING QUINOXALINE INHIBITORS OF P13K-ALPHA FOR USE IN THE TREATMENT OF CANCER EXELIXIS, INC (US) 2011-05-26 US claimed
WO-2023209591-A1 COMBINATION OF ANTIBODY-DRUG CONJUGATE WITH EZH1 AND/OR EZH2 INHIBITOR DAIICHI SANKYO COMPANY, LIMITED (JP) 2023-11-02 WO disclosed
US-11801209-B2 Cooling and flavor boosting compositions FIRMENICH SA (CH) 2023-10-31 US disclosed
US-20230255906-A1 Targeting Serpin B9 in Cancer THE BRIGHAM AND WOMEN'S HOSPITAL, INC. 2023-08-17 US disclosed
CN-115974856-A Preparation method of medicine of vatistal for treating adult T cell leukemia lymphoma 北京康立生医药技术开发有限公司 2023-04-18 CN disclosed
US-11185100-B2 Methods for modulating taste receptors MARS, INCORPORATED (US) 2021-11-30 US disclosed
CN-108699041-B Imidazole derivative having JNK inhibitory activity and use thereof 三进制药株式会社 2021-03-26 CN disclosed
US-20200306156-A1 COOLING AND FLAVOR BOOSTING COMPOSITIONS FIRMENICH SA (CH) 2020-10-01 US disclosed
US-20180255813-A1 METHODS FOR MODULATING TASTE RECEPTORS MARS, INCORPORATED (US) 2018-09-13 US disclosed
US-20180168208-A1 FLAVOR COMPOSITIONS AND PET FOOD PRODUCTS CONTAINING THE SAME MARS, INCORPORATED (US) 2018-06-21 US disclosed
US-20170202849-A1 ANTIPARASITIC COMPOUNDS AVISTA PHARMA SOLUTIONS, INC. 2017-07-20 US disclosed
US-9643963-B2 Antiparasitic compounds AVISTA PHARMA SOLUTIONS, INC. (US) 2017-05-09 US disclosed
US-20160280700-A1 ANTIPARASITIC COMPOUNDS SNAPDRAGON CHEMISTRY, INC. 2016-09-29 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-20160280700-A1 ANTIPARASITIC COMPOUNDS TPP2, TPP1, SERPINB1 TSHR 1548/4885HTR1A 2040/4885HTR1D 1255/4885
US-20200306156-A1 COOLING AND FLAVOR BOOSTING COMPOSITIONS TAS2R20, TAS2R10, TAS2R40 TSHR 3585/4885HTR1A 1998/4885HTR1D 2795/4885
US-11801209-B2 Cooling and flavor boosting compositions TAS2R20, TAS2R10, TAS2R40 TSHR 3585/4885HTR1A 1998/4885HTR1D 2795/4885
US-20110123434-A1 COMBINATION THERAPIES COMPRISING QUINOXALINE INHIBITORS OF P13K-ALPHA FOR USE IN THE TREATMENT OF CANCER TP53, PHKG1, TNNI3K TSHR 4775/4885HTR1A 4184/4885HTR1D 4102/4885
US-20170202849-A1 ANTIPARASITIC COMPOUNDS TPP2, TPP1, SERPINB1 TSHR 1548/4885HTR1A 2040/4885HTR1D 1255/4885
US-20230255906-A1 Targeting Serpin B9 in Cancer SERPINB10, SERPINB8, SERPINE1 TSHR 3173/4885HTR1A 4334/4885HTR1D 4645/4885

“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.