Sugi Predict

Sugi Predict / Compounds / SCHEMBL2499400

SCHEMBL2499400

SCHEMBL2499400

O=C(O)[C@@H]1CC(F)CN1C(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ POLB P06746 1/20 0.47
▸ PSEN1 P49768 1/20 0.46
▸ PSEN2 P49810 1/20 0.46
▸ APH1B Q8WW43 1/20 0.46
▸ NCSTN Q92542 1/20 0.46
▸ APH1A Q96BI3 1/20 0.46
▸ PSENEN Q9NZ42 1/20 0.46
▸ AGTR2 P50052 2/20 0.46
▸ HTR2C P28335 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ PDK1 Q15118 1/20 0.45
▸ PDK2 Q15119 1/20 0.45
▸ PDK3 Q15120 1/20 0.45
▸ PDK4 Q16654 1/20 0.45
▸ CYP2C19 P33261 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44

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
SCHEMBL1150913 1.00 NPC1 (0.49) NPC1RAB9ASMN1; SMN2POLBPSEN1
SCHEMBL21874256 1.00 NPC1 (0.49) NPC1RAB9ASMN1; SMN2POLBPSEN1
SCHEMBL11450804 1.00 NPC1 (0.49) NPC1RAB9ASMN1; SMN2POLBPSEN1
SCHEMBL9940046 1.00 NPC1 (0.49) NPC1RAB9ASMN1; SMN2POLBPSEN1
SCHEMBL1334730 0.91 POLB (0.47) NPC1RAB9ASMN1; SMN2POLBPSEN1
SCHEMBL1335928 0.91 POLB (0.47) NPC1RAB9ASMN1; SMN2POLBPSEN1
SCHEMBL1335516 0.91 POLB (0.47) NPC1RAB9ASMN1; SMN2POLBPSEN1
SCHEMBL1335517 0.91 POLB (0.47) NPC1RAB9ASMN1; SMN2POLBPSEN1
SCHEMBL1335456 0.91 POLB (0.47) NPC1RAB9ASMN1; SMN2POLBPSEN1
SCHEMBL19540632 0.91 POLB (0.49) NPC1RAB9ASMN1; SMN2POLBPSEN1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102219750-B N-substituted hydroxypyrimidinone carboxamide inhibitors of HIV integrase ANGELETTI P IST RICHERCHE BIO 2013-05-29 — — CN disclosed
US-8030499-B2 1,3-dihydro-2H-indole-2-one compound and pyrrolidine-2-one compound fused with aromatic heterocycle TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-10-04 — — US disclosed
CN-1700918-B N-substituted hydroxypyrimidinone carboxamide inhibitors of HIV integrase ANGELETTI P IST RICHERCHE BIO 2011-06-08 — — CN disclosed
US-7528124-B2 1,3-dihydro-2H-indol-2-one derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-05-05 — — US disclosed
US-20080318923-A1 1,3-Dihydro-2H-Indole-2-One Compound and Pyrrolidine-2-One Compound Fused With Aromatic Heterocycle TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-25 — — US disclosed
US-20060276449-A1 1,3-Dihydro-2h-indol-2-one derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2006-12-07 — — US disclosed
EP-1659121-A1 1,3-DIHYDRO-2H-INDOL-2-ONE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD (JP) 2006-05-24 — — EP disclosed
CN-1700918-A N-substituted hydroxypyrimidinone carboxamide inhibitors of HIV integrase ANGELETTI P IST RICHERCHE BIO (IT) 2005-11-23 — — CN disclosed
EP-1465891-A4 INHIBITORS OF DIPEPTIDYL PEPTIDASE IV GUILFORD PHARM INC (US) 2005-08-17 — — EP disclosed
EP-0828851-B1 TRIPEPTIDYLPEPTIDASE INHIBITORS INST NAT SANTE ETDE LA RECH ME (FR) 2005-07-20 — — EP disclosed
EP-1465891-A2 INHIBITORS OF DIPEPTIDYL PEPTIDASE IV GUILFORD PHARMACEUTICALS INC. (US) 2004-10-13 — — EP disclosed
EP-1441735-A1 N-SUBSTITUTED HYDROXYPYRIMIDINONE CARBOXAMIDE INHIBITORS OF HIV INTEGRASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2004-08-04 — — EP disclosed
WO-2003057666-A2 INHIBITORS OF DIPEPTIDYL PEPTIDASE IV GUILFORD PHARMACEUTICALS (US) 2003-07-17 — — WO disclosed
WO-2003057144-A2 CHANGE INHIBITORS OF DIPEPTIDYL PEPTIDASE IV GUILFORD PHARMACEUTICALS (US) 2003-07-17 — — WO disclosed
WO-2003035077-A1 N-SUBSTITUTED HYDROXYPYRIMIDINONE CARBOXAMIDE INHIBITORS OF HIV INTEGRASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2003-05-01 — — WO disclosed
US-20030027743-A1 Tripeptidylpeptidase inhibitors INSERM 2003-02-06 — — US disclosed
US-6403561-B1 DISORDERS ASSOCIATED WITH THE INACTIVATION OR EXCESSIVE DEGRADATION OF CHOLECYSTOKININ; INHIBITING THE ENZYMATIC HYDROLYSIS OF CHOLECYSTOKININ 1-(2(S)-AMINOBUTYRYL)-2(S)-INDOLINECARBOXYLIC ACID INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2002-06-11 — — US disclosed
EP-0828851-A2 TRIPEPTIDYLPEPTIDASE INHIBITORS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1998-03-18 — — EP disclosed
WO-1996035805-A2 TRIPEPTIDYLPEPTIDASE INHIBITORS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1996-11-14 — — WO disclosed
US-4241076-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1980-12-23 — — US 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-20060276449-A1 1,3-Dihydro-2h-indol-2-one derivative AVPR1B, AVPR2, AVPR1A NPC1 2956/4885RAB9A 160/4885SMN1; SMN2 4421/4885
US-20080318923-A1 1,3-Dihydro-2H-Indole-2-One Compound and Pyrrolidine-2-One Compound Fused With Aromatic Heterocycle AVPR1B, AVPR1A, AVPR2 NPC1 990/4885RAB9A 649/4885SMN1; SMN2 2982/4885
US-20030027743-A1 Tripeptidylpeptidase inhibitors DPP4, DPP3, DPP9 NPC1 368/4885RAB9A 3369/4885SMN1; SMN2 2974/4885

“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.