SCHEMBL13040490

SCHEMBL13040490

C[S+]([O-])c1cccc(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
MAPK1 P28482 1/20 0.45
CES2 O00748 1/20 0.41
MGLL Q99685 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
KDM1A O60341 2/20 0.40
NFE2L2 Q16236 1/20 0.40
ALDH1A1 P00352 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
HTR3A P46098 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38
IDO1 P14902 1/20 0.38
IDH2 P48735 1/20 0.38
RAPGEF4 Q8WZA2 1/20 0.38
FBP1 P09467 1/20 0.38

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
SCHEMBL13155179 0.82 HDAC8 (0.41) ALDH1A1L3MBTL1
SCHEMBL16139507 0.81 TSHR (0.42) TSHRMAPK1CES2MGLLHTR2A
SCHEMBL4661338 0.81 TSHR (0.54) TSHRMAPK1CES2MGLLHTR2A
SCHEMBL20048770 0.80 TSHR (0.50) TSHRMAPK1CES2MGLLHTR2A
SCHEMBL11858634 0.76 TSHR (0.40) TSHR
SCHEMBL6384184 0.75 TSHR (0.54) TSHRMAPK1CES2MGLLALDH1A1
SCHEMBL4592667 0.75 TSHR (0.54) TSHRMAPK1CES2MGLLALDH1A1
SCHEMBL4362915 0.74 OPRM1 (0.40) TSHRCES2MGLLKDM1AALDH1A1
SCHEMBL16622528 0.74 OPRM1 (0.40) TSHRCES2MGLLKDM1AALDH1A1
SCHEMBL5404369 0.72 TSHR (0.56) TSHRMAPK1CES2MGLLALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9188862-B2 Actinic ray-sensitive or radiation-sensitive resin composition, and, actinic ray-sensitive or radiation-sensitive film and pattern forming method, each using the same FUJIFILM CORPORATION (JP) 2015-11-17 US disclosed
EP-1673087-B1 ALKOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2015-05-13 EP disclosed
US-20140295332-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, AND, ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE FILM AND PATTERN FORMING METHOD, EACH USING THE SAME FUJIFILM CORPORATION (JP) 2014-10-02 US disclosed
WO-2013100158-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, AND, ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE FILM AND PATTERN FORMING METHOD, EACH USING THE SAME FUJIFILM CORPORATION (JP) 2013-07-04 WO disclosed
US-7858789-B2 Derivatives of 4-aminopiperidine and their use as a medicament IPSEN PHARMA S.A.S. (FR) 2010-12-28 US disclosed
US-20090149652-A1 Derivatives of 4-aminopiperidine and their use as a medicament SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES 2009-06-11 US 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-20090149652-A1 Derivatives of 4-aminopiperidine and their use as a medicament SSTR4, SSTR3, SSTR1 TSHR 52/4885MAPK1 1837/4885CES2 2900/4885

“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.