SCHEMBL291210

SCHEMBL291210

c1coc(-c2conn2)n1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.34
LTA4H P09960 1/20 0.33

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
SCHEMBL100765 0.71 HPGDS (0.46) HPGDSLTA4H
SCHEMBL104745 0.71
SCHEMBL440423 0.68 NOTUM (0.42)
SCHEMBL27594120 0.68 CYP1A2 (0.40) HPGDSLTA4H
SCHEMBL912864 0.67 LTA4H (0.37) HPGDSLTA4H
SCHEMBL13484017 0.65 ENPP3 (0.44) HPGDSLTA4H
SCHEMBL970056 0.65 KMT2A (0.37) HPGDSLTA4H
SCHEMBL12571337 0.65 HPGDS (0.41) HPGDSLTA4H
SCHEMBL28395750 0.65 LTA4H (0.36) HPGDSLTA4H
SCHEMBL28465840 0.65 HPGDS (0.37) HPGDSLTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104125773-A N-arylamidine substituted trifluoroethyl sulfide derivatives as acaricides and insecticides BAYER CROPSCIENCE AG 2014-10-29 CN claimed
CN-103130775-A Indolinone derivatives serving as tyrosine kinase inhibitors SHANDONG HENRY MEDICAL TECHNOLOGY CO LTD 2013-06-05 CN claimed
CN-103068811-A Anthracene [2,3-b:7,6-b' ] dithiophene derivatives and their use as organic semiconductors MERCK PATENT GMBH 2013-04-24 CN claimed
CN-102947299-A Alkaloid aminoester derivatives and pharmaceutical compositions thereof CHIESI FARMA SPA 2013-02-27 CN claimed
CN-102883718-A Analogues for the treatment or prevention of flavivirus infections VERTEX PHARMA 2013-01-16 CN claimed
CN-102869657-A Analogues for the treatment or prevention of flavivirus infections VERTEX PHARMA 2013-01-09 CN claimed
US-8097644-B2 Indole compounds having sphingosine-1-phosphate (S1P) receptor antagonist ALLERGAN, INC. (US) 2012-01-17 US claimed
EP-2262497-A2 S1P3 RECEPTOR INHIBITORS FOR TREATING INFLAMMATION Allergan, Inc. (US) 2010-12-22 EP claimed
EP-1599464-B1 NOVEL CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS AVENTIS PHARMA SA (FR) 2010-09-22 EP claimed
CN-101627024-A ALDH-2 inhibitors in the treatment of addiction CV THERAPEUTICS INC 2010-01-13 CN claimed
US-20070191313-A1 INDOLE-3-CARBOXYLIC ACID AMIDE, ESTER, THIOAMIDE AND THIOL ESTER COMPOUNDS BEARING ARYL OR HETEROARYL GROUPS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR ANTAGONIST BIOLOGICAL ACTIVITY ALLERGAN, INC. 2007-08-16 US claimed
CN-1791838-A Photoresist composition for deep UV and imaging process thereof AZ ELECTRONIC MATERIALS USA (US) 2006-06-21 CN claimed
CN-1777414-A Glycinamide derivative for inhibiting HIV replication TRIPEP AB (SE) 2006-05-24 CN claimed
CN-1230715-C Photoresist composition for deep ultraviolet and method thereof CLARIANT FINANCE BVI LTD (JP) 2005-12-07 CN claimed
CN-1443315-A Photoresist composition for deep UV and process thereof CLARIANT FINANCE BVI LTD (VG) 2003-09-17 CN claimed
EP-0646007-B1 NEW DELTA-17 AND DELTA-20 OLEFINIC AND SATURATED 17$g(b)-SUBSTITUTED-4-AZA-5$g(a)-ANDROSTAN-3-ONES AS 5$g(a)-REDUCTASE INHIBITORS MERCK & CO INC (US) 1997-08-13 EP claimed
EP-0646007-A4 1995-04-26 EP claimed
EP-0646007-A1 NEW DELTA-17 AND DELTA-20 OLEFINIC AND SATURATED 17-g(b)-SUBSTITUTED-4-AZA-5-g(a)-ANDROSTAN-3-ONES AS 5-g(a)-REDUCTASE INHIBITORS. MERCK & CO INC (US) 1995-04-05 EP claimed
WO-1993023050-A1 NEW DELTA-17 AND DELTA-20 OLEFINIC AND SATURATED 17β-SUBSTITUTED-4-AZA-5α-ANDROSTAN-3-ONES AS 5α-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1993-11-25 WO claimed
EP-0167651-B1 PROCESS FOR PRODUCING 3-CEPHEM-4-CARBOXYLIC ACID DERIVATIVES SUBSTITUTED IN 3-POSITION Antibioticos, S.A. (ES) 1989-09-13 EP claimed

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-20070191313-A1 INDOLE-3-CARBOXYLIC ACID AMIDE, ESTER, THIOAMIDE AND THIOL ESTER COMPOUNDS BEARING ARYL OR HETEROARYL GROUPS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR ANTAGONIST BIOLOGICAL ACTIVITY S1PR3, S1PR1, S1PR2 HPGDS 975/4885LTA4H 222/4885

“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.