SCHEMBL5227337

SCHEMBL5227337

FC(F)(F)c1ccccc1-c1nc2cc(OCC3CO3)ccc2o1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTRN P46939 1/20 0.53
FGFR1 P11362 1/20 0.43
SRC P12931 1/20 0.43
C1R P00736 1/20 0.42
ALDH1A1 P00352 2/20 0.42
TP53 P04637 2/20 0.42
TSHR P16473 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP3A4 P08684 1/20 0.42
HIF1A Q16665 1/20 0.42
TDP1 Q9NUW8 1/20 0.40
HSD17B10 Q99714 2/20 0.40
S1PR1 P21453 7/20 0.40
S1PR3 Q99500 5/20 0.40
MAPT P10636 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 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
SCHEMBL6285148 0.84 TP53 (0.54) UTRNFGFR1SRCALDH1A1TP53
SCHEMBL5227432 0.81 ACSL1 (0.53) FGFR1SRCALDH1A1TP53TSHR
SCHEMBL5995331 0.81 ACSL1 (0.53) FGFR1SRCALDH1A1TP53TSHR
SCHEMBL5230999 0.81 UTRN (0.52) UTRNFGFR1SRCALDH1A1TP53
SCHEMBL5227331 0.80 UTRN (0.54) UTRNFGFR1SRCALDH1A1TP53
SCHEMBL6286299 0.76 UTRN (0.52) UTRNFGFR1SRCALDH1A1TP53
SCHEMBL4041870 0.76 ESR1 (0.46) FGFR1SRCALDH1A1TP53TSHR
SCHEMBL4041183 0.76 ESR1 (0.46) FGFR1SRCALDH1A1TP53TSHR
SCHEMBL6284582 0.74 CETP (0.51) UTRNALDH1A1TSHRSMN1; SMN2HSD17B10
SCHEMBL5226237 0.74 ALDH1A1 (0.51) FGFR1SRCALDH1A1TP53TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1339701-B1 HETEROARYL ALKYL PIPERAZINE DERIVATIVES AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS INC (US) 2007-02-14 EP disclosed
US-6849632-B2 Heteroaryl alkyl piperazine derivatives CV THERAPEUTICS, INC. (US) 2005-02-01 US disclosed
US-20040192702-A1 Heteroaryl alkyl piperazine derivatives ZABLOCKI JEFF (US) 2004-09-30 US disclosed
US-20040029889-A1 Heteroaryl alkyl piperazine derivatives as fatty acid oxidation inhibitors CV THERAPEUTICS, INC. 2004-02-12 US disclosed
US-20030216409-A1 Heteroaryl alkyl piperazine derivatives CV THERAPEUTICS, INC. 2003-11-20 US disclosed
EP-1339701-A1 HETEROARYL ALKYL PIPERAZINE DERIVATIVES AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS, INC. (US) 2003-09-03 EP disclosed
US-6573264-B1 Protecting skeletal muscles against damage, treating shock conditions, preserving donor tissue and organs used in transplants, treating cardiovascular diseases CV THERAPEUTICS, INC. 2003-06-03 US disclosed
WO-2002064576-A1 HETEROARYL ALKYL PIPERAZINE DERIVATIVES AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS, INC. (US) 2002-08-22 WO 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 (3 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-20040029889-A1 Heteroaryl alkyl piperazine derivatives as fatty acid oxidation inhibitors CPT1B, CPT1A, ALOX15 UTRN 3383/4885FGFR1 1306/4885SRC 3606/4885
US-20040192702-A1 Heteroaryl alkyl piperazine derivatives ATP2A1, CPT1B, ATP2A3 UTRN 1904/4885FGFR1 2522/4885SRC 4080/4885
US-20030216409-A1 Heteroaryl alkyl piperazine derivatives ATP2A1, CPT1B, ATP2A3 UTRN 1904/4885FGFR1 2522/4885SRC 4080/4885

“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.