Sugi Predict

Sugi Predict / Compounds / SCHEMBL402122

SCHEMBL402122

SCHEMBL402122

CS(=O)(=O)Cc1ccc(C(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.59
▸ ALDH1A1 P00352 3/20 0.57
▸ TSHR P16473 2/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ RCE1 Q9Y256 1/20 0.53
▸ TP53 P04637 1/20 0.50
▸ TDP1 Q9NUW8 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ SRD5A2 P31213 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ USP2 O75604 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ NR4A1 P22736 1/20 0.47
▸ APEX1 P27695 1/20 0.47
▸ APOBEC3A P31941 1/20 0.47
▸ RECQL P46063 1/20 0.47

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
SCHEMBL1482125 0.83 KMT2A (0.59) KMT2AALDH1A1TSHRHSD17B10RCE1
SCHEMBL11581819 0.83 TSHR (0.58) KMT2AALDH1A1TSHRHSD17B10TP53
SCHEMBL9772279 0.82 RCE1 (0.56) ALDH1A1TSHRHSD17B10RCE1TDP1
SCHEMBL1272763 0.82 PLA2G10 (0.50) KMT2AALDH1A1TSHRHSD17B10RCE1
SCHEMBL1018823 0.82 ALDH1A1 (0.61) KMT2AALDH1A1TSHRHSD17B10TP53
SCHEMBL1060743 0.81 TSHR (0.56) KMT2AALDH1A1TSHRHSD17B10TP53
SCHEMBL3237371 0.80 TSHR (0.56) KMT2AALDH1A1TSHRHSD17B10TP53
SCHEMBL18389723 0.79 TSHR (0.55) KMT2AALDH1A1TSHRHSD17B10TP53
SCHEMBL29108711 0.79 TSHR (0.55) KMT2AALDH1A1TSHRHSD17B10TP53
SCHEMBL5435259 0.79 TSHR (0.55) KMT2AALDH1A1TSHRHSD17B10TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070049594-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-03-01 — — US claimed
EP-1383748-A2 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-01-28 — — EP claimed
WO-2002051983-A2 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-07-04 — — WO claimed
CN-114206335-B KCNT1 inhibitors and methods of use 普拉克西斯精密药物股份有限公司 2025-03-11 — — CN disclosed
EP-4446314-A2 KCNT1 INHIBITORS AND METHODS OF USE Praxis Precision Medicines, Inc. (US) 2024-10-16 — — EP disclosed
EP-3962479-B1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PREC MEDICINES INC (US) 2024-07-24 — — EP disclosed
US-20240116872-A1 PYRIDYL INHIBITORS FOR HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2024-04-11 — — US disclosed
US-20230265054-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2023-08-24 — — US disclosed
US-20220280476-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2022-09-08 — — US disclosed
CN-114206335-A KCNT1 inhibitors and methods of use 普拉克西斯精密药物股份有限公司 2022-03-18 — — CN disclosed
EP-3962479-A1 KCNT1 INHIBITORS AND METHODS OF USE Praxis Precision Medicines, Inc. (US) 2022-03-09 — — EP disclosed
WO-2002051983-A2 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-07-04 — — WO disclosed
WO-2002020484-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2002-03-14 — — WO disclosed
US-6355633-B1 CONTRACEPTIVES AMERICAN HOME PRODUCTS CORPORATION 2002-03-12 — — US disclosed
WO-2000058277-A1 ARYL SULFONIC ACIDS AND DERIVATIVES AS FSH ANTAGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-10-05 — — WO disclosed
CN-1248255-A 3-heterocyclyl-substituted benzoyl derivatives BASF AG (DE) 2000-03-22 — — CN disclosed
US-6022523-A NOVEL CYCLIC COMPOUNDS CONTAINING CARBOCYCLIC AND HETEROCYCLIC RING SYSTEMS DUPONT PHARMACEUTICALS COMPANY (US) 2000-02-08 — — US disclosed
EP-0692982-A4 RADIOLABELED PLATELET GPIIb/IIIa RECEPTOR ANTAGONISTS AS IMAGING AGENTS FOR THE DIAGNOSIS OF THROMBOEMBOLIC DISORDERS DU PONT MERCK PHARMA (US) 1998-03-11 — — EP disclosed
EP-0692982-A1 RADIOLABELED PLATELET GPIIb/IIIa RECEPTOR ANTAGONISTS AS IMAGING AGENTS FOR THE DIAGNOSIS OF THROMBOEMBOLIC DISORDERS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-01-24 — — EP disclosed
WO-1994022494-A1 RADIOLABELED PLATELET GPIIb/IIIa RECEPTOR ANTAGONISTS AS IMAGING AGENTS FOR THE DIAGNOSIS OF THROMBOEMBOLIC DISORDERS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-10-13 — — 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 (4 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-20220280476-A1 KCNT1 INHIBITORS AND METHODS OF USE KCNT1, KCNT2, KCNQ2 KMT2A 232/4885ALDH1A1 2052/4885TSHR 3515/4885
US-20070049594-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE KMT2A 4623/4885ALDH1A1 4046/4885TSHR 4359/4885
US-20230265054-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO KMT2A 1528/4885ALDH1A1 2407/4885TSHR 421/4885
US-20240116872-A1 PYRIDYL INHIBITORS FOR HEDGEHOG SIGNALLING SHH, GLI1, SMO KMT2A 1487/4885ALDH1A1 2371/4885TSHR 453/4885

“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.