SCHEMBL2892402

SCHEMBL2892402

O=C(O)CNc1cc2cc(Br)c(OCc3ccccc3)cc2cc1OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.48
PTGER4 P35408 1/20 0.48
PTGER3 P43115 1/20 0.48
PTGER2 P43116 1/20 0.48
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PTPN1 P18031 1/20 0.43
BRD4 O60885 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
RAB9A P51151 2/20 0.41
FOLH1 Q04609 1/20 0.40
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
ABCB1 P08183 1/20 0.40
SMPD1 P17405 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL22412007 0.88 PTGER1 (0.47) PTGER1PTGER4PTGER3PTGER2SMN1; SMN2
SCHEMBL2897343 0.86 SMN1; SMN2 (0.44) TDP1L3MBTL1BRD4SMN1; SMN2RAB9A
SCHEMBL30559871 0.85 TDP1 (0.50) TDP1L3MBTL1BRD4SMN1; SMN2RAB9A
SCHEMBL23539478 0.85 TDP1 (0.50) THRATHRBTDP1L3MBTL1BRD4
SCHEMBL23539625 0.85 TDP1 (0.50) TDP1L3MBTL1BRD4SMN1; SMN2RAB9A
SCHEMBL29043357 0.84 TDP1 (0.49) TDP1L3MBTL1BRD4SMN1; SMN2RAB9A
SCHEMBL22412427 0.82 HDAC8 (0.49) PTGER1PTGER4PTGER3PTGER2SMN1; SMN2
SCHEMBL30559859 0.81 SMN1; SMN2 (0.53) THRATHRBTDP1L3MBTL1PTPN1
SCHEMBL2895199 0.81 SMN1; SMN2 (0.53) THRATHRBTDP1L3MBTL1PTPN1
SCHEMBL23539476 0.79 FOLH1 (0.56) PTGER1TDP1L3MBTL1SMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20100035942-A1 1-orthofluorophenyl substituted 1,2,5-thiazolidinedione derivatives as ptp-as inhibitors PTPRS, PTPRF, PTPRO PTGER1 760/4885PTGER4 1365/4885PTGER3 730/4885

“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.