SCHEMBL6872168

SCHEMBL6872168

CON(Cc1ccccc1)C(=O)/C=C(\O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
CA12 O43570 2/20 0.40
CA9 Q16790 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
ACHE P22303 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
SCHEMBL6872170 1.00 NPC1 (0.40) NPC1RAB9ACA12CA9L3MBTL1
SCHEMBL6879068 0.88 CTBP2 (0.36) CA12CA9TRPM8CA1CA2
SCHEMBL6879062 0.88 CTBP2 (0.36) CA12CA9TRPM8CA1CA2
SCHEMBL6877326 0.87 ACHE (0.45) TRPM8ACHE
SCHEMBL3682001 0.87 TDP1 (0.39) CA12CA9CA1CA2LMNA
SCHEMBL5797871 0.87 TDP1 (0.39) CA12CA9CA1CA2LMNA
SCHEMBL6876913 0.87 BCL2A1 (0.43) RAB9A
SCHEMBL3681999 0.87 TDP1 (0.39) CA12CA9CA1CA2LMNA
SCHEMBL6876915 0.87 BCL2A1 (0.43) RAB9A
SCHEMBL6877322 0.87 ACHE (0.45) TRPM8ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1467695-A2 HIV INTEGRASE INHIBITORS Bristol-Myers Squibb Company (US) 2004-10-20 EP 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
WO-2003049690-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-06-19 WO 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-20030176495-A1 HIV Integrase inhibitors MAPT, RIF1, HPRT1 NPC1 230/4885RAB9A 2047/4885CA12 4819/4885

“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.