Sugi Predict

Sugi Predict / Compounds / SCHEMBL6417192

SCHEMBL6417192

SCHEMBL6417192

COC(=O)/C(O)=C/C(=O)N(C)Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 1/20 0.44
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ SLC6A2 P23975 1/20 0.43
▸ SLC6A4 P31645 1/20 0.43
▸ TACR1 P25103 2/20 0.43
▸ PTGES O14684 1/20 0.43
▸ PDK1 Q15118 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ FFAR1 O14842 2/20 0.41
▸ FFAR4 Q5NUL3 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ OPRM1 P35372 1/20 0.41
▸ OPRL1 P41146 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ SERPINE1 P05121 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
SCHEMBL6417197 1.00 MTOR (0.44) MTORMEN1KMT2AKDM4EALDH1A1
SCHEMBL6415244 0.88 MEN1 (0.47) MTORMEN1KMT2AKDM4EALDH1A1
SCHEMBL6415243 0.88 MEN1 (0.47) MTORMEN1KMT2AKDM4EALDH1A1
SCHEMBL6418747 0.84 MEN1 (0.52) MEN1KMT2AALDH1A1SLC6A2
SCHEMBL6418741 0.84 MEN1 (0.52) MEN1KMT2AALDH1A1SLC6A2
SCHEMBL6076406 0.82 NPC1 (0.54) MEN1KMT2A
SCHEMBL6076409 0.82 NPC1 (0.54) MEN1KMT2A
SCHEMBL6411649 0.82 HSD17B2 (0.52) MEN1KMT2AALDH1A1GAA
SCHEMBL6419961 0.82 AOC3 (0.55) PTGES
SCHEMBL6411654 0.82 HSD17B2 (0.52) MEN1KMT2AALDH1A1GAA

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 MTOR 3095/4885MEN1 4741/4885KMT2A 1208/4885
US-20030181490-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 MTOR 3743/4885MEN1 4837/4885KMT2A 1330/4885
US-20030027847-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 MTOR 3743/4885MEN1 4837/4885KMT2A 1330/4885

“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.