SCHEMBL3963112

SCHEMBL3963112

COc1ccc(Cc2cccs2)c(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.51
L3MBTL1 Q9Y468 4/20 0.50
POLB P06746 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
APLNR P35414 1/20 0.50
NPC1 O15118 1/20 0.49
CASP3 P42574 1/20 0.49
RAB9A P51151 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
HPGD P15428 1/20 0.48
ALDH1A1 P00352 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
TSHR P16473 2/20 0.45
KDM4E B2RXH2 2/20 0.45
GLA P06280 1/20 0.45
GAA P10253 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
SCHEMBL6390242 0.81 USP2 (0.49) USP2SMN1; SMN2L3MBTL1POLBMEN1
SCHEMBL3869275 0.79 APLNR (0.60) USP2SMN1; SMN2L3MBTL1POLBMEN1
SCHEMBL145084 0.79 APLNR (0.68) APLNRALDH1A1TSHRGAAMAPK1
SCHEMBL5659502 0.79 RAB9A (0.45) SMN1; SMN2L3MBTL1POLBMEN1KMT2A
SCHEMBL12475472 0.78 USP2 (0.46) USP2SMN1; SMN2L3MBTL1POLBMEN1
SCHEMBL28849186 0.76 APLNR (0.47) USP2APLNRALDH1A1TSHRGAA
SCHEMBL546118 0.75 L3MBTL1 (0.57) USP2SMN1; SMN2L3MBTL1POLBMEN1
SCHEMBL25082195 0.75 GPR84 (0.69) SMN1; SMN2MEN1KMT2ATSHRMAPK1
SCHEMBL10480569 0.74 MEN1 (0.51) SMN1; SMN2L3MBTL1MEN1KMT2AHPGD
SCHEMBL14541445 0.74 HTR2A (0.58) TSHRCYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113412267-A alpha-D-galactoside inhibitors of galectins 格莱克特生物技术公司 2021-09-17 CN disclosed
WO-2013041482-A1 SIDE CHAIN-FUNCTIONALIZED PEG Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e. V. (DE) 2013-03-28 WO disclosed
US-20090105239-A1 2-PYRIDINE DERIVATIVES AS INHIBITORS OF NEUTROPHILE ELASTASE ASTRAZENECA AB (SE) 2009-04-23 US disclosed
WO-2009037413-A1 DIMERS OF 5- [ (4-CYANOPHENYL) SULFINYL] -6-METHYL-2-OXO-1- [3- (TRIFLUOROMETHYL)PHENYL] -1,2-DIHYDROPYRIDINE-3-CARBOXAMIDE AS INHIBITORS OF HUMAN NEUTROPHIL ELASTASE FOR TREATING RESPIRATORY DISEASES ARGENTA DISCOVERY LIMITED (GB) 2009-03-26 WO disclosed
EP-1861371-A1 NOVEL COMPOUNDS II 2-PYRIDINE DERIVATIVES AS INHIBITORS OF NEUTROPHILE ELASTASE. AstraZeneca AB (SE) 2007-12-05 EP disclosed
WO-2007107706-A2 DIMERS OF HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF COPD ARGENTA DISCOVERY LIMITED (GB) 2007-09-27 WO disclosed
WO-2006098684-A1 NOVEL COMPOUNDS II 2-PYRIDINE DERIVATIVES AS INHIBITORS OF NEUTROPHILE ELASTASE. ASTRAZENECA AB (SE) 2006-09-21 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 (1 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-20090105239-A1 2-PYRIDINE DERIVATIVES AS INHIBITORS OF NEUTROPHILE ELASTASE SERPINB1, ELANE, MPO USP2 1178/4885SMN1; SMN2 1429/4885L3MBTL1 3575/4885

“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.