SCHEMBL6976089

SCHEMBL6976089

CCOC(=O)Cc1cc(C)cs1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
DAO P14920 2/20 0.44
MAPK1 P28482 2/20 0.44
HTT P42858 1/20 0.44
GAA P10253 2/20 0.40
LMNA P02545 2/20 0.40
TSHR P16473 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MGAM O43451 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
POLB P06746 1/20 0.39
ESR2 Q92731 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL7958215 0.84 SMN1; SMN2 (0.46) SMN1; SMN2MEN1KMT2ADAOMAPK1
SCHEMBL1551334 0.84 HSP90AB1 (0.43) SMN1; SMN2MEN1KMT2ADAOHTT
SCHEMBL16563717 0.83 SMN1; SMN2 (0.45) SMN1; SMN2MEN1KMT2ADAOMAPK1
SCHEMBL2033883 0.80 CYP1A2 (0.43) SMN1; SMN2DAOTSHRALDH1A1POLB
SCHEMBL27869621 0.79 CYP4F2 (0.50) SMN1; SMN2MEN1KMT2ADAOMAPK1
SCHEMBL27942177 0.79 DAO (0.47) SMN1; SMN2MEN1KMT2ADAOMAPK1
SCHEMBL28628107 0.79 SMN1; SMN2 (0.40) SMN1; SMN2MEN1KMT2AMAPK1HTT
SCHEMBL6167651 0.78 DAO (0.42) SMN1; SMN2MEN1KMT2ADAOMAPK1
SCHEMBL6168905 0.77 DAO (0.45) SMN1; SMN2MEN1KMT2ADAOMAPK1
SCHEMBL1551106 0.77 DAO (0.50) SMN1; SMN2MEN1KMT2ADAOGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2848617-B1 DIARYL[A, G]QUINOLIZIDINE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND USES THEREOF SHANGHAI INST MATERIA MEDICA CAS (CN) 2022-01-12 EP disclosed
US-9751882-B2 Diaryl[A, G]quinolizidine compound, preparation method therefor, pharmaceutical composition, and uses thereof KINGSOUND & PARTNER (CN) 2017-09-05 US disclosed
US-9376417-B2 Process for preparing aryl- and heteroarylacetic acid derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-06-28 US disclosed
US-20150315171-A1 PROCESS FOR PREPARING ARYL - AND HETEROARYLACETIC ACID DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2015-11-05 US disclosed
US-9096568-B2 Process for preparing aryl- and heteroarylacetic acid derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-08-04 US disclosed
US-20150141419-A1 DIARYL[A, G]QUINOLIZIDINE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND USES THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2015-05-21 US disclosed
EP-2848617-A1 DIARYL[A, G]QUINOLIZIDINE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND USES THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2015-03-18 EP disclosed
US-20140155632-A1 PROCESS FOR PREPARING ARYL- AND HETEROARYLACETIC ACID DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2014-06-05 US disclosed
EP-1107756-A4 NOVEL ISOXAZOLINONE ANTIBACTERIAL AGENTS BRISTOL MYERS SQUIBB CO (US) 2003-02-26 EP disclosed
US-20020094984-A1 Novel isoxazolinone antibacterial agents SNYDER LAWRENCE B (US) 2002-07-18 US disclosed
US-6420349-B1 POTENT ANTIBIOTIC ACTIVE AGAINST GRAM-POSITIVE BACTERIA; ANIMAL FEED;FOOD PRESERVATIVES; WATERBASED PAINTS; WHITE WATER OF PAPER MILLS; DISINFECTANTS FOR MEDICAL AND DENTAL EQUIPMENT BRISTOL-MYERS SQUIBB COMPANY 2002-07-16 US disclosed
EP-1107756-A1 NOVEL ISOXAZOLINONE ANTIBACTERIAL AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-06-20 EP disclosed
WO-2000010566-A1 NOVEL ISOXAZOLINONE ANTIBACTERIAL AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-03-02 WO disclosed
US-4159986-A ANALGESICS, ANTIINFLAMMATORY AGENTS ROUSSEL UCLAF (FR) 1979-07-03 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 (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-20150141419-A1 DIARYL[A, G]QUINOLIZIDINE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND USES THEREOF HTR5A, HTR1F, QDPR SMN1; SMN2 4618/4885MEN1 2484/4885KMT2A 3312/4885
US-20140155632-A1 PROCESS FOR PREPARING ARYL- AND HETEROARYLACETIC ACID DERIVATIVES DDC, AHR, DDT SMN1; SMN2 4321/4885MEN1 2950/4885KMT2A 448/4885
US-20020094984-A1 Novel isoxazolinone antibacterial agents RPS4X, RPS4Y1, CYP51A1 SMN1; SMN2 2607/4885MEN1 3001/4885KMT2A 4244/4885
US-20150315171-A1 PROCESS FOR PREPARING ARYL - AND HETEROARYLACETIC ACID DERIVATIVES DDC, AHR, DDT SMN1; SMN2 4321/4885MEN1 2950/4885KMT2A 448/4885

“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.