SCHEMBL450997

SCHEMBL450997

CCCCCCCCCCCCCCCC=CS

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 6/20 0.54
TRPV1 Q8NER1 1/20 0.54
TSHR P16473 2/20 0.48
TERT O14746 3/20 0.46
CYP1A2 P05177 2/20 0.46
MAPT P10636 2/20 0.46
CYP2C19 P33261 2/20 0.46
BLM P54132 2/20 0.46
HSD17B10 Q99714 2/20 0.46
FABP4 P15090 2/20 0.46
PTPN1 P18031 2/20 0.46
PPARG P37231 2/20 0.46
KMT2A Q03164 2/20 0.46
PPARD Q03181 2/20 0.46
PPARA Q07869 2/20 0.46
GMNN O75496 1/20 0.46
USP2 O75604 1/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
SCHEMBL448357 1.00 FAAH (0.54) FAAHTRPV1TSHRTERTCYP1A2
SCHEMBL129511 1.00 FAAH (0.54) FAAHTRPV1TSHRTERTCYP1A2
SCHEMBL448718 1.00 FAAH (0.54) FAAHTRPV1TSHRTERTCYP1A2
SCHEMBL10959408 1.00 FAAH (0.54) FAAHTRPV1TSHRTERTCYP1A2
SCHEMBL9366273 1.00
SCHEMBL135854 1.00 FAAH (0.54) FAAHTRPV1TSHRTERTCYP1A2
SCHEMBL129533 1.00 FAAH (0.54) FAAHTRPV1TSHRTERTCYP1A2
SCHEMBL9362653 1.00 FAAH (0.54) FAAHTRPV1TSHRTERTCYP1A2
SCHEMBL10959317 1.00 FAAH (0.54) FAAHTRPV1TSHRTERTCYP1A2
SCHEMBL10955670 1.00 FAAH (0.54) FAAHTRPV1TSHRTERTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2883865-B1 Compound capable of binding S1P receptor and pharmaceutical use thereof ONO PHARMACEUTICAL CO (JP) 2019-09-25 EP disclosed
US-9309481-B2 Lubricant composition IDEMITSU KOSAN CO., LTD. (JP) 2016-04-12 US disclosed
EP-2883865-A1 Compound capable of binding S1P receptor and pharmaceutical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2015-06-17 EP disclosed
EP-1661881-B1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF ONO PHARMACEUTICAL CO (JP) 2014-12-17 EP disclosed
EP-2592066-B1 Aminocarboxylic acid derivative and medical use thereof ONO PHARMACEUTICAL CO (JP) 2014-12-03 EP disclosed
EP-2371811-B1 Azetidinecarboxylic acid derivative and medicinal use thereof ONO PHARMACEUTICAL CO (JP) 2014-10-08 EP disclosed
US-20140288034-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2014-09-25 US disclosed
EP-2333024-B1 Electrically conductive emulsion ink and method for producing electrically conductive thin film using the same RISO KAGAKU CORP (JP) 2014-08-13 EP disclosed
US-8791159-B2 Compound capable of binding S1P receptor and pharmaceutical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2014-07-29 US disclosed
US-8653305-B2 Compound having S1P receptor binding potency and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2014-02-18 US disclosed
US-20090325992-A1 COMPOUND HAVING CYCLIC GROUP BOUND THERETO THROUGH SPIRO BINDING AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 US disclosed
US-20090275554-A1 AMINOCARBOXYLIC ACID DERIVATIVE AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2009-11-05 US disclosed
US-20090192182-A1 COMPOUND HAVING ACIDIC GROUP WHICH MAY BE PROTECTED, AND USE THEREOF ONO PHARMACEUTICAL CO.,LTD. (JP) 2009-07-30 US disclosed
EP-2055705-A1 COMPOUND HAVING CYCLIC GROUP BOUND THERETO THROUGH SPIRO BINDING AND USE THEREOF Ono Pharmaceutical CO., LTD. (JP) 2009-05-06 EP disclosed
EP-2042503-A1 COMPOUND HAVING ACIDIC GROUP WHICH MAY BE PROTECTED, AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2009-04-01 EP disclosed
US-20080207584-A1 Compound Having S1P Receptor Binding Potency and Use Thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2008-08-28 US disclosed
EP-1826197-A1 AMINOCARBOXYLIC ACID DERIVATIVE AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-08-29 EP disclosed
US-20070167425-A1 Compound capable of binding s1p receptor and pharmaceutical use thereof ONO PHARMACEUTICAL CO., LTD (JP) 2007-07-19 US disclosed
EP-1760071-A1 COMPOUND HAVING S1P RECEPTOR BINDING POTENCY AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-03-07 EP disclosed
EP-1661881-A2 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-05-31 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 (6 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-20140288034-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF S1PR1, S1PR2, S1PR3 FAAH 901/4885TRPV1 203/4885TSHR 546/4885
US-20070167425-A1 Compound capable of binding s1p receptor and pharmaceutical use thereof S1PR1, S1PR3, S1PR2 FAAH 1781/4885TRPV1 636/4885TSHR 754/4885
US-20090192182-A1 COMPOUND HAVING ACIDIC GROUP WHICH MAY BE PROTECTED, AND USE THEREOF CXCR4, CXCR3, CXCL12 FAAH 3023/4885TRPV1 729/4885TSHR 1940/4885
US-20090325992-A1 COMPOUND HAVING CYCLIC GROUP BOUND THERETO THROUGH SPIRO BINDING AND USE THEREOF CXCR4, CXCL12, CXCR1 FAAH 4362/4885TRPV1 684/4885TSHR 1517/4885
US-20080207584-A1 Compound Having S1P Receptor Binding Potency and Use Thereof S1PR1, EDNRA, S1PR3 FAAH 1270/4885TRPV1 470/4885TSHR 690/4885
US-20090275554-A1 AMINOCARBOXYLIC ACID DERIVATIVE AND MEDICINAL USE THEREOF EDNRA, EDNRB, S1PR1 FAAH 980/4885TRPV1 772/4885TSHR 4002/4885

“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.