SCHEMBL6418491

SCHEMBL6418491

O=C(O)C(O)=CC(=O)N(Cc1ccc(F)cc1)Cc1ccco1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.58
TP53 P04637 2/20 0.57
GAA P10253 1/20 0.52
THRB P10828 1/20 0.52
LMNA P02545 3/20 0.50
TSHR P16473 2/20 0.50
ALDH1A1 P00352 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
AR P10275 1/20 0.49
POLB P06746 2/20 0.49
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
GFER P55789 1/20 0.47
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
SNCA P37840 1/20 0.45
HTT P42858 1/20 0.45
RECQL P46063 1/20 0.45

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
SCHEMBL6412983 0.85 TDP1 (0.42) ALDH1A1SNCA
SCHEMBL6412980 0.85 TDP1 (0.42) ALDH1A1SNCA
SCHEMBL6413732 0.79 BCL2A1 (0.53) ALDH1A1POLBHTT
SCHEMBL6413735 0.79 BCL2A1 (0.53) ALDH1A1POLBHTT
SCHEMBL6417941 0.79 ALDH1A1 (0.50) LMNAALDH1A1POLB
SCHEMBL6417939 0.79 ALDH1A1 (0.50) LMNAALDH1A1POLB
SCHEMBL6412353 0.78 MAPT (0.55) MAPTTP53GAATHRBLMNA
SCHEMBL6412357 0.78 MAPT (0.55) MAPTTP53GAATHRBLMNA
SCHEMBL6416892 0.76 PTPN1 (0.43) ALDH1A1SNCAHTT
SCHEMBL6416897 0.76 PTPN1 (0.43) ALDH1A1SNCAHTT

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 MAPT 4035/4885TP53 3496/4885GAA 4268/4885
US-20030181490-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 MAPT 4262/4885TP53 4549/4885GAA 3859/4885
US-20030027847-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 MAPT 4262/4885TP53 4549/4885GAA 3859/4885

“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.