Sugi Predict

Sugi Predict / Compounds / SCHEMBL562016

SCHEMBL562016

SCHEMBL562016

O=C(OCc1ccc([N+](=O)[O-])cc1)N1CC[C@H](S)C1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.46
▸ LMNA P02545 2/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ MAPT P10636 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ DPP8 Q6V1X1 1/20 0.44
▸ DPP9 Q86TI2 1/20 0.44
▸ ATM Q13315 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42

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
SCHEMBL9854866 1.00 ALDH1A1 (0.46) ALDH1A1LMNASMN1; SMN2MAPTRAB9A
SCHEMBL6400164 1.00 ALDH1A1 (0.46) ALDH1A1LMNASMN1; SMN2MAPTRAB9A
SCHEMBL6405203 0.93 DPP8 (0.47) ALDH1A1LMNASMN1; SMN2MAPTTDP1
SCHEMBL6401181 0.93 SMN1; SMN2 (0.50) ALDH1A1LMNASMN1; SMN2MAPTRAB9A
SCHEMBL6398767 0.90 TDP1 (0.51) ALDH1A1LMNASMN1; SMN2MAPTRAB9A
SCHEMBL23199288 0.89 CYP1A2 (0.50) ALDH1A1LMNASMN1; SMN2MAPTRAB9A
SCHEMBL5723978 0.86 ALDH1A1 (0.47) ALDH1A1LMNASMN1; SMN2MAPTRAB9A
SCHEMBL5723982 0.86 ALDH1A1 (0.47) ALDH1A1LMNASMN1; SMN2MAPTRAB9A
SCHEMBL4476414 0.86 ALDH1A1 (0.47) ALDH1A1LMNASMN1; SMN2MAPTRAB9A
SCHEMBL28556696 0.86 CYP1A2 (0.52) ALDH1A1LMNASMN1; SMN2MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-59013757-A — — None — — JP disclosed
US-20120035357-A1 PROCESS FOR THE PREPARATION OF CARBAPENEM ANTIBIOTIC ORCHID CHEMICALS & PHARMACEUTICALS LTD. (IN) 2012-02-09 — — US disclosed
US-20050004092-A1 Penem derivatives and antimicrobial agent containing the same DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2005-01-06 — — US disclosed
EP-0757051-B1 PENEM DERIVATIVES AND ANTIMICROBIAL AGENT CONTAINING THE SAME DAIICHI SUNTORY PHARMA CO LTD (JP) 2003-10-29 — — EP disclosed
US-5856556-A Azetidinone derivatives, a process for their preparation and their use as intermediates in the preparation of carbapenem antibiotics SANKYO COMPANY, LIMITED (JP) 1999-01-05 — — US disclosed
EP-0774465-A1 Penem derivatives and antimicrobial agents containing the same SUNTORY LIMITED (JP) 1997-05-21 — — EP disclosed
EP-0757051-A1 PENEM DERIVATIVES AND ANTIMICROBIAL AGENT CONTAINING THE SAME SUNTORY LIMITED (JP) 1997-02-05 — — EP disclosed
US-5342963-A Optically active pyrrolidine derivative AJINOMOTO CO., INC. (JP) 1994-08-30 — — US disclosed
US-5286857-A Intermediate for the preparation of penems PFIZER INC. (US) 1994-02-15 — — US disclosed
EP-0280771-B1 3-Pyrrolidinylthio-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid derivatives and processes for the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-07-28 — — EP disclosed
US-4895940-A Process for the preparation of penems PFIZER INC. (US) 1990-01-23 — — US disclosed
EP-0161546-B1 COMBINATION OF 2-SUBSTITUTED CARBAPENEMS WITH DIPEPTIDASE INHIBITORS MERCK & CO. INC. (US) 1989-12-13 — — EP disclosed
EP-0280771-A1 3-Pyrrolidinylthio-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid derivatives and processes for the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-09-07 — — EP disclosed
EP-0102239-B1 AZETIDINONE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS INTERMEDIATES IN THE PREPARATION OF CARBAPENEM ANTIBIOTICS SANKYO COMPANY LIMITED (JP) 1987-10-14 — — EP disclosed
EP-0188816-A1 Novel beta-lactams and their production SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1986-07-30 — — EP disclosed
EP-0170019-A1 Carbapenems having an ether group at position 4 F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1986-02-05 — — EP disclosed
EP-0161546-A1 Combination of 2-substituted carbapenems with dipeptidase inhibitors MERCK & CO. INC. (US) 1985-11-21 — — EP disclosed
EP-0160391-A1 Carbapenem derivatives and compositions containing them SANKYO COMPANY LIMITED (JP) 1985-11-06 — — EP disclosed
EP-0102239-A1 Azetidinone derivatives, a process for their preparation and their use as intermediates in the preparation of carbapenem antibiotics SANKYO COMPANY LIMITED (JP) 1984-03-07 — — EP disclosed
JP-S5913757-A 3-MERCAPTOPYPROLIDINE DERIVATIVE AND ITS PREPARATION SANKYO CO LTD 1984-01-24 — — JP 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 (2 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-20120035357-A1 PROCESS FOR THE PREPARATION OF CARBAPENEM ANTIBIOTIC MGAM, PDHB, SI ALDH1A1 2609/4885LMNA 951/4885SMN1; SMN2 3810/4885
US-20050004092-A1 Penem derivatives and antimicrobial agent containing the same MRPL21, MRPS2, MRPS28 ALDH1A1 1862/4885LMNA 3637/4885SMN1; SMN2 3757/4885

“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.