SCHEMBL15344650

SCHEMBL15344650

CC(C(N)=O)c1ccc2oc(-c3ccc(F)cc3)nc2c1.CCS(=O)(=O)O

nearest known ligand 0.55

Known targets — ChEMBL curated mechanism

FGFR1FGFR2FGFR3FGFR4FLT1FLT4KDRPDGFRAPDGFRB

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.55
▸ ADRA1A P35348 1/20 0.55
▸ MAPT P10636 8/20 0.51
▸ TP53 P04637 6/20 0.51
▸ KDM4E B2RXH2 5/20 0.51
▸ ALDH1A1 P00352 5/20 0.51
▸ HSD17B10 Q99714 5/20 0.51
▸ RAB9A P51151 3/20 0.51
▸ NPC1 O15118 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ UTRN P46939 4/20 0.47
▸ HTR2B P41595 1/20 0.47
▸ HDAC3 O15379 1/20 0.47
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC2 Q92769 1/20 0.47
▸ HDAC8 Q9BY41 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ HSPD1 P10809 1/20 0.47

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
SCHEMBL12327020 0.93 MAOA (0.62) MAOAADRA1AMAPTTP53KDM4E
SCHEMBL15344595 0.89 MAOA (0.71) MAOAADRA1AMAPTTP53KDM4E
SCHEMBL15344649 0.83 MAOA (0.53) MAOAADRA1AMAPTTP53KDM4E
Flunoxaprofen SCHEMBL25196 0.83 MAOA (0.78) MAOAADRA1AMAPTTP53KDM4E
SCHEMBL12608957 0.83 MAOA (0.67) MAOAADRA1AMAPTTP53KDM4E
Flunoxaprofen SCHEMBL29612240 0.83 MAOA (0.78) MAOAADRA1AMAPTTP53KDM4E
Flunoxaprofen SCHEMBL25195 0.83 MAOA (0.78) MAOAADRA1AMAPTTP53KDM4E
SCHEMBL12608958 0.82 MAOA (0.52) MAOAADRA1AMAPTTP53KDM4E
SCHEMBL15344648 0.81 MAPT (0.45) MAOAADRA1AMAPTTP53KDM4E
SCHEMBL12327026 0.81 MAPT (0.51) MAOAADRA1AMAPTTP53KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140057959-A1 NOVEL COMPOUNDS DERIVED FROM TAURINE, PROCESS OF THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE UNIVERSIDADE ESTADUAL PAULISTA JULIO DE MESQUITA FILHO - UNESP (BR) 2014-02-27 — — US claimed
US-8569335-B2 Compounds derived from taurine, process of their preparation and pharmaceutical compositions containing these EMS S.A. (BR) 2013-10-29 — — US 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-20140057959-A1 NOVEL COMPOUNDS DERIVED FROM TAURINE, PROCESS OF THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE TPMT, UTS2R, NSUN3 MAOA 791/4885ADRA1A 378/4885MAPT 103/4885

“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.

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