SCHEMBL5887328

SCHEMBL5887328

COC(=O)C(Cc1ccc(I)cc1)NCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.59
L3MBTL1 Q9Y468 1/20 0.56
CA12 O43570 2/20 0.53
CA7 P43166 2/20 0.53
CA9 Q16790 2/20 0.53
CA14 Q9ULX7 2/20 0.53
ALDH1A1 P00352 2/20 0.51
THRB P10828 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
HSD17B10 Q99714 1/20 0.51
POLB P06746 1/20 0.50
ITGA4 P13612 1/20 0.50
ITGB7 P26010 1/20 0.50
TRPM8 Q7Z2W7 1/20 0.49
TSHR P16473 1/20 0.48
MDM4 O15151 1/20 0.48
MDM2 Q00987 1/20 0.48
CA2 P00918 1/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL5887331 1.00 ATM (0.59) ATML3MBTL1CA12CA7CA9
SCHEMBL2375646 0.91 ATM (0.68) ATML3MBTL1CA12CA7CA9
SCHEMBL3959739 0.91 ATM (0.68) ATML3MBTL1CA12CA7CA9
SCHEMBL2375644 0.91 ATM (0.68) ATML3MBTL1CA12CA7CA9
Hydrochloric Acid SCHEMBL17822192 0.90 ATM (0.67) ATML3MBTL1CA12CA7CA9
Hydrochloric Acid SCHEMBL1885087 0.90 ATM (0.67) ATML3MBTL1CA12CA7CA9
Hydrochloric Acid SCHEMBL1885086 0.90 ATM (0.67) ATML3MBTL1CA12CA7CA9
SCHEMBL5887617 0.89 PPARG (0.50) ATML3MBTL1ITGA4ITGB7FPR2
SCHEMBL5887621 0.89 PPARG (0.50) ATML3MBTL1ITGA4ITGB7FPR2
SCHEMBL7260951 0.89 ATM (0.62) ATML3MBTL1CA12CA7CA9

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-7091373-B2 Production method for biarylalanine SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-08-15 US disclosed
US-20040024229-A1 Production method for biarylalanine SUMITOMO CHEMICAL COMPANY, LIMITED 2004-02-05 US disclosed
EP-1346971-A1 Production method for biarylalanine SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-09-24 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-20040024229-A1 Production method for biarylalanine BCAT2, BCAT1, PAH ATM 4004/4885L3MBTL1 211/4885CA12 1913/4885

“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.