SCHEMBL3397850

SCHEMBL3397850

COc1cccc(SCc2ccccc2)c1C=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
POLB P06746 2/20 0.44
CTSB P07858 1/20 0.43
EGFR P00533 1/20 0.42
ALDH1A1 P00352 4/20 0.41
MAPT P10636 4/20 0.40
NPC1 O15118 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KMT2A Q03164 1/20 0.40
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
MCL1 Q07820 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
ELANE P08246 1/20 0.39
RECQL P46063 1/20 0.38

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
SCHEMBL3888294 0.81 L3MBTL1 (0.55) RAB9AL3MBTL1POLBCTSBEGFR
Formaldehyde SCHEMBL28320418 0.80 RAB9A (0.51) RAB9AL3MBTL1POLBCTSBEGFR
SCHEMBL9431344 0.77 POLB (0.47) L3MBTL1POLBCTSBEGFRMAPT
SCHEMBL16494533 0.77 ALDH1A1 (0.43) ALDH1A1MAPTNPSR1HTTSMN1; SMN2
SCHEMBL8862277 0.77 KMT2A (0.50) L3MBTL1POLBCTSBALDH1A1MAPT
SCHEMBL15808429 0.77 POLB (0.47) L3MBTL1POLBALDH1A1MAPTNPSR1
SCHEMBL8965390 0.77 ERN1 (0.47) RAB9AL3MBTL1POLBCTSBEGFR
SCHEMBL4438690 0.77 ERN1 (0.44) POLBALDH1A1MAPTLMNARECQL
SCHEMBL7056623 0.76 POLB (0.45) POLBALDH1A1HTTSMN1; SMN2GAA
SCHEMBL3404568 0.75 TAAR1 (0.48) RAB9AL3MBTL1POLBCTSBEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11053234-B2 1,3 di-substituted cyclobutane or azetidine derivatives as hematopoietic prostaglandin D synthase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-07-06 US disclosed
US-20190241554-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-08-08 US disclosed
CN-110072857-A 1, 3-disubstituted cyclobutanone or azetidine derivatives as hematopoietic prostaglandin D synthase inhibitors 葛兰素史密斯克莱知识产权发展有限公司 2019-07-30 CN disclosed
WO-2018069863-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-04-19 WO disclosed
EP-2253633-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-24 EP disclosed
US-20090233937-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-17 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 (3 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-11053234-B2 1,3 di-substituted cyclobutane or azetidine derivatives as hematopoietic prostaglandin D synthase inhibitors HPGDS, PTGDR, PTGER1 RAB9A 2499/4885L3MBTL1 3465/4885POLB 1254/4885
US-20190241554-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS HPGDS, PTGDR, PTGER1 RAB9A 2499/4885L3MBTL1 3465/4885POLB 1254/4885
US-20090233937-A1 FUSED HETEROCYCLIC COMPOUND ROS1, JAK2, ERBB2 RAB9A 2544/4885L3MBTL1 3391/4885POLB 3934/4885

“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.