SCHEMBL2895199

SCHEMBL2895199

Brc1cc2cc(Br)c(OCc3ccccc3)cc2cc1OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
RAB9A P51151 1/20 0.53
STAT3 P40763 1/20 0.50
HTT P42858 1/20 0.50
MAOB P27338 1/20 0.49
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
ALOX5 P09917 1/20 0.47
HTR1A P08908 1/20 0.46
DRD2 P14416 1/20 0.46
LIPE Q05469 1/20 0.44
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
FOLH1 Q04609 1/20 0.44
PTPN1 P18031 1/20 0.44
LTA4H P09960 1/20 0.43

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
SCHEMBL30559859 1.00 SMN1; SMN2 (0.53) SMN1; SMN2RAB9ASTAT3HTTMAOB
SCHEMBL30559872 0.90 SMN1; SMN2 (0.46) SMN1; SMN2RAB9ASTAT3HTTMAOB
SCHEMBL23539106 0.90 SMN1; SMN2 (0.46) SMN1; SMN2RAB9ASTAT3HTTMAOB
SCHEMBL629418 0.90 ALOX5 (0.65) SMN1; SMN2RAB9AMAOBMAPTL3MBTL1
SCHEMBL15476522 0.89 CYP1A2 (0.49) SMN1; SMN2RAB9ASTAT3HTTMAOB
SCHEMBL30559854 0.87 FOLH1 (0.56) SMN1; SMN2RAB9ATDP1L3MBTL1FOLH1
SCHEMBL23539476 0.87 FOLH1 (0.56) SMN1; SMN2RAB9ATDP1L3MBTL1FOLH1
SCHEMBL23539625 0.83 TDP1 (0.50) SMN1; SMN2RAB9ATDP1L3MBTL1
SCHEMBL23539478 0.83 TDP1 (0.50) SMN1; SMN2RAB9ASTAT3MAPTTDP1
SCHEMBL30559871 0.83 TDP1 (0.50) SMN1; SMN2RAB9ATDP1L3MBTL1

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-20230019236-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF CALICO LIFE SCIENCES LLC (US) 2023-01-19 US disclosed
WO-2021127499-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF CALICO LIFE SCIENCES LLC (US) 2021-06-24 WO disclosed
US-8252820-B2 1-orthofluorophenyl substituted 1,2,5-thiazolidinedione derivatives as PTP-as inhibitors NOVARTIS AG (CH) 2012-08-28 US disclosed
US-20100035942-A1 1-orthofluorophenyl substituted 1,2,5-thiazolidinedione derivatives as ptp-as inhibitors NOVARTIS AG (CH) 2010-02-11 US disclosed
EP-1963293-A1 1-ORTHOFLUOROPHENYL SUBSTITUTED 1, 2 , 5-THIAZOLIDINEDIONE DERIVATIVES AS PTP-AS INHIBITORS Novartis AG (CH) 2008-09-03 EP disclosed
WO-2007067612-A1 1-ORTHOFLUOROPHENYL SUBSTITUTED 1, 2, 5-THIAZOLIDINEDIONE DERIVATIVES AS PTP-AS INHIBITORS NOVARTIS AG (CH) 2007-06-14 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 (2 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-20230019236-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PTPN1, PTPN2, PTPN18 SMN1; SMN2 3496/4885RAB9A 2264/4885STAT3 648/4885
US-20100035942-A1 1-orthofluorophenyl substituted 1,2,5-thiazolidinedione derivatives as ptp-as inhibitors PTPRS, PTPRF, PTPRO SMN1; SMN2 1901/4885RAB9A 3661/4885STAT3 992/4885

“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.