SCHEMBL6450808

SCHEMBL6450808

CON(Cc1ccc(C(=O)O)cc1)C(=O)C=C1OC(C)(C)OC1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 10/20 0.37
LPAR1 Q92633 3/20 0.36
LPAR5 Q9H1C0 3/20 0.36
PTGES O14684 2/20 0.36
TAS2R8 Q9NYW2 1/20 0.36
CXCR3 P49682 1/20 0.36
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RAB9A P51151 1/20 0.36
SRD5A2 P31213 1/20 0.34
RXRA P19793 1/20 0.34
KDM4E B2RXH2 1/20 0.33
PSMD14 O00487 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
CRHBP P24387 1/20 0.33
PPARG P37231 1/20 0.33
KMT2A Q03164 1/20 0.33
CRHR2 Q13324 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33

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
SCHEMBL6879189 0.91 NPSR1 (0.36) ALDH1A1L3MBTL1RAB9AMAPT
SCHEMBL6077845 0.90 LOXL2 (0.38) ALDH1A1L3MBTL1RAB9AKDM4EMAPT
SCHEMBL6077839 0.90 LOXL2 (0.38) ALDH1A1L3MBTL1RAB9AKDM4EMAPT
SCHEMBL6077334 0.88 POLB (0.34) ALDH1A1L3MBTL1MAPT
SCHEMBL6879078 0.88 POLB (0.34) ALDH1A1L3MBTL1MAPT
SCHEMBL6077370 0.88 ALDH1A1 (0.41) ALDH1A1L3MBTL1HPGDKMT2A
SCHEMBL6077491 0.87 ALDH1A1 (0.44) ALDH1A1L3MBTL1MAPTKMT2A
SCHEMBL6077514 0.87 ALDH1A1 (0.38) ALDH1A1MAPTKMT2A
SCHEMBL6877621 0.87 ALDH1A1 (0.44) ALDH1A1L3MBTL1MAPTKMT2A
SCHEMBL6078972 0.87 BCL2A1 (0.37) ALDH1A1RAB9AKDM4EMAPT

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-6890942-B2 Acyl sulfonamides as inhibitors of HIV integrase BRISTOL-MYERS SQUIBB COMPANY (US) 2005-05-10 US disclosed
US-20050004232-A1 Acyl sulfonamides as inhibitors of HIV integrase BRISTOL-MYERS SQUIBB COMPANY 2005-01-06 US disclosed
WO-2004103278-A2 ACYL SULFONAMIDES AS INHIBITORS OF HIV INTEGRASE BRISTOL-MYERS SQUIBB COMPANY (US) 2004-12-02 WO disclosed
US-6777440-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-08-17 US disclosed
US-20030176495-A1 HIV Integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-09-18 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 (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-20050004232-A1 Acyl sulfonamides as inhibitors of HIV integrase ACSS2, ARSA, ASS1 TAS2R14 3004/4885LPAR1 3631/4885LPAR5 4231/4885
US-20030176495-A1 HIV Integrase inhibitors MAPT, RIF1, HPRT1 TAS2R14 4569/4885LPAR1 3915/4885LPAR5 4638/4885

“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.