SCHEMBL6414519

SCHEMBL6414519

COc1ccc(CN(Cc2ccc(F)cc2)C(=O)C=C(O)C(=O)O)c(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
POLB P06746 2/20 0.51
ALDH1A1 P00352 1/20 0.51
TSHR P16473 1/20 0.51
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
LPAR1 Q92633 2/20 0.42
LPAR5 Q9H1C0 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL6414516 1.00 KDM4E (0.51) KDM4EPOLBALDH1A1TSHRNPC1
SCHEMBL6418515 0.92 POLB (0.47) KDM4EPOLBALDH1A1TSHRNPC1
SCHEMBL6418518 0.92 POLB (0.47) KDM4EPOLBALDH1A1TSHRNPC1
SCHEMBL6418507 0.84 NPC1 (0.53) KDM4EPOLBALDH1A1TSHRNPC1
SCHEMBL6412503 0.80 ALDH1A1 (0.44) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL6412506 0.80 ALDH1A1 (0.44) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL6412980 0.79 TDP1 (0.42) ALDH1A1SMN1; SMN2TDP1L3MBTL1
SCHEMBL6412983 0.79 TDP1 (0.42) ALDH1A1SMN1; SMN2TDP1L3MBTL1
SCHEMBL6421244 0.79 SNCA (0.42) ALDH1A1TDP1LPAR1LPAR5L3MBTL1
SCHEMBL6421246 0.79 SNCA (0.42) ALDH1A1TDP1LPAR1LPAR5L3MBTL1

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 6 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-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 KDM4E 1795/4885POLB 249/4885ALDH1A1 1020/4885
US-20030181490-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 KDM4E 847/4885POLB 371/4885ALDH1A1 239/4885
US-20030027847-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 KDM4E 847/4885POLB 371/4885ALDH1A1 239/4885

“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.