SCHEMBL6623656

SCHEMBL6623656

O=C(NS(=O)(=O)Cl)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
MAPT P10636 1/20 0.48
RAB9A P51151 1/20 0.48
IDO1 P14902 2/20 0.47
GAA P10253 1/20 0.47
AKR1C3 P42330 1/20 0.47
HTT P42858 2/20 0.45
HTR2A P28223 1/20 0.45
GLA P06280 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45

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
SCHEMBL2299040 0.86 IDO1 (0.58) ALDH1A1MAPTRAB9AIDO1GAA
SCHEMBL6894271 0.81 DPP8 (0.50) ALDH1A1MAPTRAB9AIDO1GAA
SCHEMBL11161448 0.80 IDO1 (0.54) ALDH1A1MAPTRAB9AIDO1GAA
SCHEMBL11161443 0.80 IDO1 (0.54) ALDH1A1MAPTRAB9AIDO1GAA
SCHEMBL5235182 0.80 ALDH1A1 (0.46) ALDH1A1MAPTRAB9AIDO1AKR1C3
SCHEMBL11165857 0.79 IDO1 (0.53) ALDH1A1MAPTRAB9AIDO1AKR1C3
SCHEMBL10500161 0.79 DPP8 (0.58) ALDH1A1MAPTRAB9AIDO1GAA
SCHEMBL6395921 0.79 IDO1 (0.53) ALDH1A1MAPTRAB9AIDO1GAA
SCHEMBL10402671 0.79 IDO1 (0.53) ALDH1A1MAPTRAB9AIDO1GAA
SCHEMBL6046636 0.79 RAB9A (0.59) ALDH1A1MAPTRAB9AIDO1AKR1C3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102812026-A Oral carbapenem compounds containing aminosulfonyl azetidinyl SHANDONG XUANZHU PHARM TECH CO 2012-12-05 CN disclosed
EP-1251133-B1 NOVEL CARBAPENEM DERIVATIVES MEIJI SEIKA KAISHA (JP) 2004-10-13 EP disclosed
US-6680313-B2 1-HYDROXYETHYL-2(IMIDAZO(5,1B)THIAZOL-2-YL-1-CARBAPEN-2-EM-3-C CARBOXYLIC ACID OR SALT, EXCELLENT ANTIBIOTIC ACTIVITY AGAINST A WIDE SPECTRUM OF BACTERIA MEIJI SEIKA KAISHA, LTD. (JP) 2004-01-20 US disclosed
US-20030027809-A1 Novel carbapenum derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2003-02-06 US disclosed
EP-1251133-A1 NOVEL CARBAPENEM DERIVATIVES MEIJI SEIKA KAISHA LTD. (JP) 2002-10-23 EP 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 (1 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-20030027809-A1 Novel carbapenum derivatives DHPS, DPEP1, OXA1L ALDH1A1 260/4885MAPT 4740/4885RAB9A 2075/4885

“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.