SCHEMBL5300942

SCHEMBL5300942

Cn1c(S(C)(=O)=O)nc(C(=O)O)c(OCc2ccccc2)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
CYP1A2 P05177 8/20 0.41
CYP2C19 P33261 3/20 0.41
SRD5A2 P31213 2/20 0.40
ALDH1A1 P00352 8/20 0.40
HSD17B10 Q99714 5/20 0.40
CASP1 P29466 3/20 0.40
CASP7 P55210 3/20 0.40
CYP2C9 P11712 2/20 0.40
CYP3A4 P08684 1/20 0.40
LMNA P02545 3/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 3/20 0.39
MAPK1 P28482 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
SRD5A1 P18405 1/20 0.38
USP2 O75604 2/20 0.38
CLK4 Q9HAZ1 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
SCHEMBL15455834 0.91 LMNA (0.49) PKMMAOAMAOBCYP1A2CYP2C19
SCHEMBL6093718 0.89 KDM4E (0.42) PKMMAOAMAOBALDH1A1HSD17B10
SCHEMBL3420229 0.83 CYP1A2 (0.47) PKMMAOAMAOBCYP1A2CYP2C19
SCHEMBL2507511 0.80 MAOA (0.48) PKMMAOAMAOBCYP1A2CYP2C19
SCHEMBL1668866 0.76 HDAC1 (0.46) PKMMAOAMAOBCYP1A2CYP2C19
SCHEMBL5644365 0.76 KDM4E (0.44) CYP1A2CYP2C19ALDH1A1HSD17B10CYP2C9
SCHEMBL5310259 0.75 CYP1A2 (0.41) PKMMAOAMAOBCYP1A2CYP2C19
SCHEMBL15320367 0.75 ALDH1A1 (0.44) CYP1A2SRD5A2ALDH1A1HSD17B10CYP2C9
SCHEMBL2553621 0.75 PKM (0.44) PKMMAOAMAOBSRD5A2ALDH1A1
SCHEMBL1671403 0.74 DPP4 (0.47) CYP1A2CYP2C19ALDH1A1HSD17B10LMNA

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
EP-1756069-A4 HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2007-11-28 EP disclosed
EP-1756069-A2 HIV INTEGRASE INHIBITORS Bristol-Myers Squibb Company (US) 2007-02-28 EP disclosed
US-7115601-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2006-10-03 US disclosed
WO-2005115398-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-12-08 WO disclosed
US-20050261322-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-11-24 US 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-20050261322-A1 HIV integrase inhibitors TYMP, PAICS, TYMS PKM 3820/4885MAOA 2101/4885MAOB 1366/4885

“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.