SCHEMBL4380498

SCHEMBL4380498

CC(=O)NCc1ccc(C(C(=O)O)c2cc(O)cc(O)c2)o1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.34
MTNR1B P49286 3/20 0.34
POLB P06746 2/20 0.34
KMT2A Q03164 3/20 0.34
APOBEC3A P31941 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALOX5 P09917 1/20 0.33
FOLH1 Q04609 1/20 0.33
ELANE P08246 1/20 0.33
ADAMTS4 O75173 1/20 0.32
MMP13 P45452 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
LMNA P02545 1/20 0.32
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL4389560 0.87 MTNR1A (0.38) MTNR1AMTNR1BPOLBKMT2AGAA
SCHEMBL4388220 0.69 ESR2 (0.35) POLBKMT2AMAPTMEN1SMN1; SMN2
SCHEMBL10061717 0.67 MAPT (0.50) POLBKMT2AAPOBEC3ACTDSP1APOBEC3G
SCHEMBL4394954 0.65 HDAC1 (0.44) POLBKMT2AMAPTMEN1SMN1; SMN2
SCHEMBL4380492 0.65 POLB (0.44) MTNR1AMTNR1BPOLBKMT2AAPOBEC3A
SCHEMBL6222826 0.65 HDAC1 (0.56) MTNR1AMTNR1BPOLBKMT2AMAPT
SCHEMBL18255172 0.64 KMT2A (0.50) POLBKMT2AMAPTNPSR1LMNA
SCHEMBL30190001 0.64 HRH1 (0.58) MTNR1APOLBKMT2AGAAMAPT
SCHEMBL8426873 0.63 ALDH1A1 (0.55) MTNR1AMTNR1BPOLBKMT2AGAA
SCHEMBL23121601 0.63 ALDH1A1 (0.43) MTNR1AMTNR1BPOLBKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538241-B2 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-05-26 US disclosed
US-20070155813-A1 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-07-05 US disclosed
EP-1704856-A1 HSP90 FAMILY PROTEIN INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-09-27 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 (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-20070155813-A1 Hsp90 family protein inhibitors HSP90AB1, HEATR1, HSP90AB2P MTNR1A 2061/4885MTNR1B 2491/4885POLB 3913/4885

“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.