SCHEMBL4740758

SCHEMBL4740758

NC(=O)c1cccc(-c2cc3c(c(C(=O)O)c2)OCCO3)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 6/20 0.46
TSHR P16473 1/20 0.46
STIM1 Q13586 2/20 0.41
ORAI1 Q96D31 2/20 0.41
CHEK2 O96017 2/20 0.40
CTNNB1 P35222 1/20 0.39
WNT3A P56704 1/20 0.39
ERN1 O75460 2/20 0.39
KMO O15229 1/20 0.39
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
CHEK1 O14757 1/20 0.38
PRF1 P14222 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
SCHEMBL4737354 0.87 KDM4E (0.43) STIM1ORAI1CTNNB1WNT3AKMO
SCHEMBL4735326 0.85 TSHR (0.49) DHODHTSHRCHEK2CHEK1
SCHEMBL4735875 0.85 ACMSD (0.50) DHODHSTIM1ORAI1KMO
SCHEMBL4738907 0.85 PARP1 (0.50) DHODHERN1KMOPRF1
SCHEMBL4735827 0.84 MCL1 (0.54) STIM1ORAI1CTNNB1WNT3A
SCHEMBL4786603 0.84 PLK1 (0.49) STIM1ORAI1
SCHEMBL14161491 0.83 IKBKB (0.48) DHODHTSHRKMO
SCHEMBL4736975 0.83 DHODH (0.43) DHODHCTNNB1
SCHEMBL4737367 0.82 ACMSD (0.47)
SCHEMBL4736156 0.82 HPGD (0.52) TSHRERN1

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-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2008-08-28 US claimed
WO-2008071455-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-19 WO claimed
US-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2008-08-28 US disclosed
WO-2008071455-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-19 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-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS FSHR, GNRHR, TPH1 DHODH 3192/4885TSHR 143/4885STIM1 2908/4885

“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.