SCHEMBL834652

SCHEMBL834652

COc1ccsc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ESR2 Q92731 1/20 0.47
KMT2A Q03164 5/20 0.47
DHODH Q02127 1/20 0.47
PTPRC P08575 1/20 0.46
PTPN1 P18031 1/20 0.46
AXL P30530 1/20 0.46
LMNA P02545 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
FABP4 P15090 2/20 0.45
MEN1 O00255 2/20 0.45
CYP1A2 P05177 1/20 0.45

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
SCHEMBL27686848 0.85 KMT2A (0.49) RAB9AKMT2AMEN1CYP1A2
SCHEMBL7759208 0.83 KMT2A (0.47) RAB9AKMT2AMEN1CYP1A2
SCHEMBL24577693 0.83 KEAP1 (0.50) RAB9AKMT2ADHODHLMNAMEN1
SCHEMBL922692 0.82 KMT2A (0.69) KMT2ALMNAMEN1CYP1A2
SCHEMBL2937630 0.82 KMT2A (0.46) KMT2ALMNAMEN1CYP1A2
SCHEMBL4698700 0.82 IKBKB (0.46) KMT2ACA1CA2MEN1CYP1A2
SCHEMBL1162160 0.80 RAB9A (0.48) RAB9AL3MBTL1ESR2KMT2APTPRC
SCHEMBL6306700 0.80 KMT2A (0.45) KMT2AMEN1CYP1A2
SCHEMBL11659943 0.79 RAB9A (0.54) RAB9AL3MBTL1ESR2KMT2APTPRC
SCHEMBL20505372 0.79 RAB9A (0.47) RAB9AL3MBTL1ESR2KMT2APTPRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7297168-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-11-20 US claimed
US-20050198745-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-15 US claimed
US-12011444-B2 N-substituted indole derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2024-06-18 US disclosed
CN-115515958-B Novel sulfonamide (Menin-MLL) interaction inhibitor, preparation method and medical application thereof 成都苑东生物制药股份有限公司 2023-09-29 CN disclosed
CN-116693533-A Five-membered heteroaromatic ring type gin-MLL interaction inhibitor, preparation method and medical application thereof 成都硕德药业有限公司 2023-09-05 CN disclosed
US-11667667-B2 Steroid derivative FXR agonist CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-06-06 US disclosed
US-11667667-B2 Steroid derivative FXR agonist CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-06-06 US disclosed
EP-3600312-B1 PIPERIDINYL- AND PIPERAZINYL-SUBSTITUTED HETEROAROMATIC CARBOXAMIDES AS MODULATORS OF GPR6 TAKEDA PHARMACEUTICALS CO (JP) 2023-05-17 EP disclosed
CN-110520127-B Piperidinyl-substituted and piperazinyl-substituted heteroaromatic carboxamides as modulators of GPR6 武田药品工业株式会社 2023-05-16 CN disclosed
WO-2023074408-A1 THIOPHENE COMPOUND, METHOD FOR SYNTHESIZING SAME, AND COMPOSITION CONTAINING SAID THIOPHENE COMPOUND 四国化成工業株式会社 2023-05-04 WO disclosed
US-20230065745-A1 PIPERIDINE-2,6-DIONE DERIVATIVES WHICH BIND TO CEREBLON, AND METHODS OF USE THEREOF CAPTOR THERAPEUTICS S.A. (PL) 2023-03-02 US disclosed
EP-0053603-B1 1-(3-(2-HYDROXY-3-ALKYLAMINOPROPOXY)-2-THIENYL)-3-PHENYL-1 PROPANONES AND THEIR ACID ADDITION SALTS, AND PROCESS FOR THEIR PREPARATION Laevosan-Gesellschaft m.b.H. & Co KG (AT) 1985-04-03 EP disclosed
EP-0117780-A1 Process for the preparation of perhalogenoalkylthio ethers RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1984-09-05 EP disclosed
US-4461903-A Antibiotic nodusmicin derivatives THE UPJOHN COMPANY (US) 1984-07-24 US disclosed
US-4448970-A ANTIBIOTICS, BACTERICIDES THE UPJOHN COMPANY (US) 1984-05-15 US disclosed
US-4363922-A Esters of antibiotic nodusmicin THE UPJOHN COMPANY (US) 1982-12-14 US disclosed
US-4360683-A Antibiotic nodusmicin derivatives THE UPJOHN COMPANY (US) 1982-11-23 US disclosed
US-4352819-A ANTIARRHYTHMIA AGENTS LAEVOSAN-GESELLSCHAFT MBH & CO. KG (AT) 1982-10-05 US disclosed
US-4351769-A Antibiotic composition of matter THE UPJOHN COMPANY (US) 1982-09-28 US disclosed
EP-0053603-A1 1-(3-(2-Hydroxy-3-alkylaminopropoxy)-2-thienyl)-3-phenyl-1 propanones and their acid addition salts, and process for their preparation Laevosan-Gesellschaft m.b.H. & Co KG (AT) 1982-06-09 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 (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-12011444-B2 N-substituted indole derivatives as PGE2 receptor modulators PTGER1, PTGER4, PTGER2 RAB9A 3072/4885L3MBTL1 4704/4885ESR2 143/4885
US-11667667-B2 Steroid derivative FXR agonist NR1H4, SLC10A1, FXR1 RAB9A 2902/4885L3MBTL1 4741/4885ESR2 216/4885
US-20230065745-A1 PIPERIDINE-2,6-DIONE DERIVATIVES WHICH BIND TO CEREBLON, AND METHODS OF USE THEREOF CRBN, CDR2, FABP7 RAB9A 3890/4885L3MBTL1 4821/4885ESR2 1035/4885
US-20050198745-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, CKMT1A; CKMT1B, CYB5R3 RAB9A 4235/4885L3MBTL1 4673/4885ESR2 2607/4885

“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.