SCHEMBL3601411

SCHEMBL3601411

COC(=O)c1cc(Oc2ccc(C(=O)O)cc2)cc(OC(C)C)c1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.59
GCK P35557 11/20 0.55
RXRA P19793 1/20 0.49
RXRB P28702 1/20 0.49
ALDH1A1 P00352 1/20 0.45
USP2 O75604 1/20 0.45
PARP10 Q53GL7 2/20 0.44
PARP15 Q460N3 1/20 0.44
RARA P10276 1/20 0.44
RARB P10826 1/20 0.44
RARG P13631 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
MEN1 O00255 1/20 0.43
SRD5A2 P31213 1/20 0.43
KCNH2 Q12809 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
SCHEMBL1261462 0.89 GCK (0.57) KMT2AGCKRXRARXRBALDH1A1
SCHEMBL3593389 0.86 HPGD (0.58) KMT2AGCKALDH1A1USP2KCNH2
SCHEMBL2652813 0.86 GCK (0.44) KMT2AGCKALDH1A1USP2PARP10
SCHEMBL9072522 0.86 USP2 (0.48) KMT2AGCKALDH1A1USP2PARP10
SCHEMBL28479980 0.85 USP2 (0.55) KMT2ARXRARXRBUSP2PARP10
SCHEMBL3599003 0.84 ALDH1A3 (0.54) KMT2AGCKALDH1A1USP2PARP10
SCHEMBL3610668 0.84 GCK (0.42) KMT2AGCKALDH1A1USP2PARP10
SCHEMBL3599562 0.84 GCK (0.42) KMT2AGCKALDH1A1USP2KCNH2
SCHEMBL1793963 0.84 KMT2A (0.53) KMT2AGCKRXRARXRBALDH1A1
SCHEMBL1107694 0.83 CA1 (0.50) KMT2AALDH1A1USP2PARP10CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7754743-B2 Heteroarylcarbamoylbenzene derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-07-13 US disclosed
US-20090018056-A1 Heteroarylcarbamoylbenzene derivatives MSD K.K. (JP) 2009-01-15 US disclosed
US-7432287-B2 Heteroarylcarbamoylbenzene derivative BANYU PHARMECEUTICAL CO., LTD. (JP) 2008-10-07 US disclosed
US-20060167053-A1 Heteroarylcarbamoylbenzene derivative MSD K.K. (JP) 2006-07-27 US disclosed
EP-1600442-A1 HETEROARYLCARBAMOYLBENZENE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-30 EP 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-20090018056-A1 Heteroarylcarbamoylbenzene derivatives GCK, GCKR, KHK KMT2A 1536/4885GCK 1/4885RXRA 1455/4885
US-20060167053-A1 Heteroarylcarbamoylbenzene derivative GCK, GCKR, GALK1 KMT2A 3162/4885GCK 1/4885RXRA 1927/4885

“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.