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SCHEMBL6414940

SCHEMBL6414940

COC(=O)C(O)=CC(=O)N(Cc1ccc(F)cc1)Cc1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCL2A1 Q16548 3/20 0.48
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ NOS2 P35228 1/20 0.41
▸ PPARG P37231 1/20 0.40
▸ PPARA Q07869 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ EGFR P00533 2/20 0.39
▸ ERBB2 P04626 2/20 0.39
▸ YAP1 P46937 1/20 0.39
▸ TEAD4 Q15561 1/20 0.39
▸ TEAD2 Q15562 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KLK7 P49862 1/20 0.39
▸ SLC2A1 P11166 1/20 0.39

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
SCHEMBL6414935 1.00 BCL2A1 (0.48) BCL2A1CA12CA1CA2CA9
SCHEMBL6076664 0.93 CA12 (0.44) CA12CA1CA2CA9MEN1
SCHEMBL6412482 0.93 BCL2A1 (0.44) BCL2A1MEN1KMT2ATDP1POLB
SCHEMBL6076667 0.93 CA12 (0.44) CA12CA1CA2CA9MEN1
SCHEMBL6412487 0.93 BCL2A1 (0.44) BCL2A1MEN1KMT2ATDP1POLB
SCHEMBL6412472 0.88 ALDH1A1 (0.48) BCL2A1CA12CA1CA2CA9
SCHEMBL6412466 0.88 ALDH1A1 (0.48) BCL2A1CA12CA1CA2CA9
SCHEMBL6412647 0.88 ALDH1A1 (0.46) CA12CA1CA2CA9YAP1
SCHEMBL6412651 0.88 ALDH1A1 (0.46) CA12CA1CA2CA9YAP1
SCHEMBL6411635 0.88 PTPN1 (0.40) CA12CA1CA2CA9EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050043370-A1 HIV integrase inhibitors WALKER MICHAEL A (US) 2005-02-24 — — US disclosed
US-6803378-B2 FOR THERAPY AND PROPHYLAXIS OF ACQUIRED IMMUNE DEFICIENCY SYNDROME (AIDS), OR ARC BRISTOL-MYERS SQUIBB COMPANY 2004-10-12 — — US disclosed
US-20030181490-A1 HIV integrase inhibitors WALKER MICHAEL A (US) 2003-09-25 — — US disclosed
EP-1322599-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-02 — — EP disclosed
US-20030027847-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-02-06 — — US disclosed
WO-2001096283-A9 HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2002-10-17 — — WO disclosed
WO-2001096283-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-12-20 — — 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 (3 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-20050043370-A1 HIV integrase inhibitors AKR1C3, CBR3, CBR1 BCL2A1 1220/4885CA12 4631/4885CA1 4495/4885
US-20030181490-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 BCL2A1 1202/4885CA12 4781/4885CA1 4643/4885
US-20030027847-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 BCL2A1 1202/4885CA12 4781/4885CA1 4643/4885

“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.