SCHEMBL1043301

SCHEMBL1043301

COc1cccc2sc(C(=O)O)nc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.61
ALDH1A1 P00352 6/20 0.59
TDP1 Q9NUW8 3/20 0.59
CYP3A4 P08684 1/20 0.59
MAPT P10636 5/20 0.55
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
KDM4E B2RXH2 4/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
LMNA P02545 4/20 0.55
MAPK1 P28482 2/20 0.55
HTT P42858 1/20 0.55
RECQL P46063 1/20 0.55
GAA P10253 3/20 0.55
HPGD P15428 5/20 0.54
RAB9A P51151 5/20 0.54
NPC1 O15118 4/20 0.54
TP53 P04637 1/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54

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
SCHEMBL15349917 0.87 DYRK1A (0.65) DYRK1AALDH1A1TDP1CYP3A4MAPT
SCHEMBL1040735 0.86 DYRK1A (0.63) DYRK1AALDH1A1TDP1CYP3A4MAPT
SCHEMBL1038566 0.86 TDP1 (0.62) DYRK1AALDH1A1TDP1CYP3A4MAPT
SCHEMBL1041605 0.83 DYRK1A (0.57) DYRK1AALDH1A1TDP1CYP3A4MAPT
SCHEMBL8401384 0.83 MEN1 (0.55) DYRK1AALDH1A1TDP1CYP3A4MAPT
SCHEMBL2762212 0.82 MEN1 (0.61) DYRK1AALDH1A1TDP1CYP3A4MAPT
SCHEMBL15349556 0.82 DYRK1A (0.56) DYRK1AALDH1A1TDP1CYP3A4MAPT
SCHEMBL2212181 0.80 ALDH1A1 (0.54) ALDH1A1TDP1CYP3A4MAPTMEN1
SCHEMBL9620871 0.80 DYRK1A (0.53) DYRK1AALDH1A1TDP1CYP3A4MAPT
SCHEMBL20660046 0.79 DYRK1A (0.80) DYRK1AALDH1A1TDP1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12377083-B2 Lysophosphatidic acid receptor antagonist and preparation method therefor WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2025-08-05 US disclosed
CN-112771027-B Lysophosphatidic acid receptor antagonists and process for preparing the same 武汉朗来科技发展有限公司 2024-03-05 CN disclosed
US-20220079928-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONIST AND PREPARATION METHOD THEREFOR WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2022-03-17 US disclosed
EP-3912975-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AND PREPARATION METHOD THEREFOR Wuhan LL Science And Technology Development Co., Ltd. (CN) 2021-11-24 EP disclosed
WO-2020147739-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AND PREPARATION METHOD THEREFOR 武汉朗来科技发展有限公司 2020-07-23 WO disclosed
EP-2270006-A1 Pyridazine derivatives useful as vanilloid receptor ligands Amgen, Inc (US) 2011-01-05 EP disclosed
US-7332511-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2008-02-19 US disclosed
US-7148221-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2006-12-12 US disclosed
US-7144888-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2006-12-05 US disclosed
EP-1717220-A2 Vanilloid receptor ligands and their use in treatments Amgen, Inc (US) 2006-11-02 EP disclosed
EP-1688408-A2 Vanilloid receptor ligands and their use in treatments Amgen, Inc (US) 2006-08-09 EP disclosed
US-20050277631-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2005-12-15 US disclosed
US-20050272777-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2005-12-08 US disclosed
EP-1546116-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS Amgen Inc. (US) 2005-06-29 EP disclosed
US-20040082780-A1 Vanilloid receptor ligands and their use in treatments AMGEN, INC. 2004-04-29 US disclosed
WO-2004014871-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2004-02-19 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 (5 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-20050272777-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 DYRK1A 1468/4885ALDH1A1 3253/4885TDP1 2163/4885
US-12377083-B2 Lysophosphatidic acid receptor antagonist and preparation method therefor LPAR1, LPAR2, LPAR4 DYRK1A 2238/4885ALDH1A1 2782/4885TDP1 4192/4885
US-20220079928-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONIST AND PREPARATION METHOD THEREFOR LPAR1, LPAR2, LPAR4 DYRK1A 2238/4885ALDH1A1 2782/4885TDP1 4192/4885
US-20050277631-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 DYRK1A 1468/4885ALDH1A1 3253/4885TDP1 2163/4885
US-20040082780-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 DYRK1A 1445/4885ALDH1A1 3103/4885TDP1 2040/4885

“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.