SCHEMBL14624383

SCHEMBL14624383

Cc1ccc(C(=O)O)cc1N[SH](=O)=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ SELL P14151 2/20 0.48
▸ SELP P16109 2/20 0.48
▸ ALDH1A1 P00352 4/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ CASR P41180 1/20 0.47
▸ NPC1 O15118 2/20 0.46
▸ MAPT P10636 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ SELE P16581 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ TSHR P16473 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ ALOX12 P18054 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ PPARG P37231 1/20 0.44

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
SCHEMBL7772145 0.79 AKR1C3 (0.54) AKR1C3L3MBTL1SELLSELPALDH1A1
SCHEMBL27286217 0.79 ALDH1A1 (0.64) L3MBTL1ALDH1A1KDM4ECASRNPC1
SCHEMBL27347830 0.79 HDAC1 (0.44) L3MBTL1ALDH1A1KDM4ENPC1MAPT
SCHEMBL4012969 0.78 ALDH1A1 (0.62) AKR1C3L3MBTL1SELLSELPALDH1A1
SCHEMBL26292488 0.78 AKR1C3 (0.53) AKR1C3L3MBTL1SELLSELPALDH1A1
SCHEMBL560143 0.76 L3MBTL1 (0.57) L3MBTL1SELLSELPALDH1A1KDM4E
Hydrochloric Acid SCHEMBL1416836 0.76 ALDH1A1 (0.61) AKR1C3L3MBTL1SELLSELPALDH1A1
SCHEMBL24003733 0.75 RAB9A (0.46) L3MBTL1ALDH1A1KDM4ENPC1MAPT
SCHEMBL11982549 0.75 ALDH1A1 (0.50) AKR1C3L3MBTL1SELLSELPALDH1A1
SCHEMBL13073785 0.75 KDM4E (0.63) AKR1C3L3MBTL1SELLSELPALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020017934-A1 COLORED CURABLE RESIN COMPOSITION, COLOR FILTER, AND DISPLAY APPARATUS 동우 화인켐 주식회사 2020-01-23 — — WO disclosed
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 — — US disclosed
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 — — US disclosed
US-20090105305-A1 Therapeutic Agents - 550 ASTRAZENECA AB (SE) 2009-04-23 — — US disclosed
US-20090105305-A1 Therapeutic Agents - 550 ASTRAZENECA AB (SE) 2009-04-23 — — US disclosed
EP-1742105-A2 Photothermographic material Fuji Photo Film Co., Ltd. (JP) 2007-01-10 — — EP 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 (2 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-20090105305-A1 Therapeutic Agents - 550 FABP4, GPR119, FASN AKR1C3 667/4885L3MBTL1 4658/4885SELL 2530/4885
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS SCN1B, SCN1A, SCN2B AKR1C3 1475/4885L3MBTL1 3351/4885SELL 3734/4885

“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.

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