Sugi Predict

Sugi Predict / Compounds / SCHEMBL6433211

SCHEMBL6433211

SCHEMBL6433211

CNC(=O)C(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.61
▸ MMP1 P03956 1/20 0.57
▸ FCER2 P06734 1/20 0.57
▸ CPA3 P15088 3/20 0.53
▸ CPA1 P15085 2/20 0.53
▸ FOLH1 Q04609 1/20 0.53
▸ CPB1 P15086 1/20 0.53
▸ CPB2 Q96IY4 1/20 0.53
▸ MME P08473 4/20 0.53
▸ LTA4H P09960 2/20 0.53
▸ NPC1 O15118 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ ALDH1A1 P00352 2/20 0.51
▸ ACE P12821 2/20 0.51
▸ HPGD P15428 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ ECE1 P42892 1/20 0.51

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
SCHEMBL23732350 0.89 CYP1A2 (0.53) CYP1A2MMP1FCER2CPA3CPA1
SCHEMBL28260993 0.86 MMP1 (0.50) CYP1A2MMP1FCER2CPA3CPA1
SCHEMBL7418989 0.84 MMP3 (0.61) MMP1
SCHEMBL15314129 0.82 CYP3A4 (0.65) CYP1A2MMP1NPC1RAB9AALDH1A1
SCHEMBL15314108 0.82 CYP3A4 (0.65) CYP1A2MMP1NPC1RAB9AALDH1A1
SCHEMBL24988006 0.82 NPC1 (0.50) CYP1A2MMP1FCER2NPC1RAB9A
SCHEMBL14407328 0.82 CYP3A4 (0.65) CYP1A2MMP1NPC1RAB9AALDH1A1
SCHEMBL25440208 0.82 NPC1 (0.50) CYP1A2MMP1FCER2NPC1RAB9A
SCHEMBL3156555 0.82 NPC1 (0.50) CYP1A2MMP1FCER2NPC1RAB9A
SCHEMBL28565026 0.82 MMP1 (0.50) CYP1A2MMP1FCER2MMELTA4H

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 CYP1A2 126/4885MMP1 1768/4885FCER2 1804/4885
US-20030181490-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 CYP1A2 153/4885MMP1 2045/4885FCER2 2140/4885
US-20030027847-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 CYP1A2 153/4885MMP1 2045/4885FCER2 2140/4885

“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.