SCHEMBL6415799

SCHEMBL6415799

CN(Cc1ccccc1Cc1ccccc1)C(=O)C=C(O)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.42
KMT2A Q03164 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
HRH1 P35367 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
PTPN1 P18031 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
SCHEMBL6415793 1.00 HPGD (0.42) HPGDKMT2ANPC1RAB9ACA12
SCHEMBL6412494 0.91 TDP1 (0.43) KMT2ARAB9AHRH1KDM4EALDH1A1
SCHEMBL6412488 0.91 TDP1 (0.43) KMT2ARAB9AHRH1KDM4EALDH1A1
SCHEMBL6412477 0.85 NPC1 (0.56) HPGDKMT2ANPC1RAB9ACA12
SCHEMBL6412481 0.85 NPC1 (0.56) HPGDKMT2ANPC1RAB9ACA12
SCHEMBL6414043 0.81 MEN1 (0.46) KMT2ANPC1RAB9AALDH1A1SLC6A2
SCHEMBL6412449 0.81 ALDH1A1 (0.55) KMT2ARAB9AKDM4EALDH1A1SLC6A2
SCHEMBL6416913 0.81 TSHR (0.43) HPGDKMT2ANPC1RAB9AKDM4E
SCHEMBL6412451 0.81 ALDH1A1 (0.55) KMT2ARAB9AKDM4EALDH1A1SLC6A2
SCHEMBL6414047 0.81 MEN1 (0.46) KMT2ANPC1RAB9AALDH1A1SLC6A2

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 HPGD 592/4885KMT2A 1208/4885NPC1 200/4885
US-20030181490-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 HPGD 1410/4885KMT2A 1330/4885NPC1 115/4885
US-20030027847-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 HPGD 1410/4885KMT2A 1330/4885NPC1 115/4885

“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.