SCHEMBL5113974

SCHEMBL5113974

CCOC(=O)n1[nH]c(=O)c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 4/20 0.48
RAB9A P51151 2/20 0.48
HPGD P15428 2/20 0.48
HIF1A Q16665 1/20 0.48
NTRK1 P04629 1/20 0.45
GAA P10253 1/20 0.44
POLB P06746 1/20 0.44
ELANE P08246 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RECQL P46063 1/20 0.42
TSHR P16473 1/20 0.42
MAT2A P31153 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
SCHEMBL12912993 0.84 NPC1 (0.44) ALDH1A1RAB9AGAASMN1; SMN2
SCHEMBL5929228 0.82 CYP3A4 (0.43) ALDH1A1KDM4ESMN1; SMN2TSHR
SCHEMBL9646454 0.80 CHRM2 (0.43) ALDH1A1KDM4E
SCHEMBL31667300 0.80 CHRM2 (0.43) ALDH1A1KDM4E
SCHEMBL8252276 0.80 ALDH1A1 (0.42) ALDH1A1KDM4EELANESMN1; SMN2
SCHEMBL9669679 0.79 TSHR (0.50) ALDH1A1KDM4ERAB9AHPGDGAA
SCHEMBL9647747 0.78 POLB (0.50) ALDH1A1KDM4ERAB9AHPGDGAA
SCHEMBL27697861 0.78 TSHR (0.44) ALDH1A1KDM4EPOLBTSHR
SCHEMBL10436781 0.75 SMN1; SMN2 (0.49) ALDH1A1KDM4ERAB9AGAASMN1; SMN2
SCHEMBL940726 0.74 CYP4A11 (0.45) MAT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993001174-A1 THIAZOLIDINE DERIVATIVES AND THEIR USE AS ANTI-VIRAL COMPOUNDS GLAXO GROUP LIMITED (GB) 1993-01-21 WO claimed
US-8273740-B2 antiallergen; not direct way to change nature of immunological response to allergen; G-protein-coupled \"chemoattractant receptor-homologous molecule expressed on Th2 cells (CRTH2)\" antagonist for prostaglandin PGD2, that mediates PGD2-dependent migration of blood Th2 cells; ; asthma, rhinitis, COPD ACTELION PHARMACEUTICALS, LTD. (CH) 2012-09-25 US disclosed
US-20080108638-A1 2-Sulfanyl-Benzoimidazol-1-Yl-Acetic Acid Derivatives as Crth2 Antagonists ACTELION PHARMACEUTICALS,LTD. (CH) 2008-05-08 US disclosed
EP-1784182-A1 2-SULFANYL-BENZIMIDAZOL-1-YL-ACETIC ACID DERIVATIVES AS CRTH2 ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2007-05-16 EP disclosed
WO-2006021418-A1 2-SULFANYL-BENZOIMIDAZOL-1-YL-ACETIC ACID DERIVATIVES AS CRTH2 ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2006-03-02 WO disclosed
EP-0625978-A1 PIPERAZINE AND PIPERIDINE DERIVATIVES, AND THEIR USE AS ANTIPSYCHOTICS THE WELLCOME FOUNDATION LIMITED (GB) 1994-11-30 EP disclosed
WO-1993016073-A1 PIPERAZINE AND PIPERIDINE DERIVATIVES, AND THEIR USE AS ANTIPSYCHOTICS THE WELLCOME FOUNDATION LIMITED (GB) 1993-08-19 WO disclosed
US-RE34201-E Analgesics ANAQUEST, INC. (US) 1993-03-23 US disclosed
US-5173496-A Antiinflammatory agents ICI PHARMA (FR) 1992-12-22 US disclosed
EP-0284174-B1 THERAPEUTIC PREPARATIONS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-07-29 EP disclosed
US-5053411-A Analgesics ANAQUEST, INC. (US) 1991-10-01 US disclosed
EP-0396282-A2 N-aryl-N-[4-(heterocyclicalkyl) piperidinyl]amides and pharmaceutical compositions and methods employing such compounds BOC, INC. (US) 1990-11-07 EP disclosed
EP-0284174-A1 Therapeutic preparations IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-09-28 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-20080108638-A1 2-Sulfanyl-Benzoimidazol-1-Yl-Acetic Acid Derivatives as Crth2 Antagonists HRH2, HRH1, HRH3 ALDH1A1 470/4885KDM4E 4631/4885RAB9A 2656/4885

“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.