SCHEMBL5227331

SCHEMBL5227331

FC(F)(F)c1cccc(-c2nc3cc(OCC4CO4)ccc3o2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ UTRN P46939 3/20 0.54
▸ CETP P11597 2/20 0.46
▸ ALDH1A1 P00352 3/20 0.45
▸ TP53 P04637 3/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ TSHR P16473 2/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ HPGD P15428 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ MAPT P10636 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ CASP3 P42574 1/20 0.45
▸ SENP8 Q96LD8 1/20 0.45
▸ SENP7 Q9BQF6 1/20 0.45
▸ SENP6 Q9GZR1 1/20 0.45
▸ CYP3A4 P08684 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ PTPN2 P17706 2/20 0.43
▸ PTPN1 P18031 2/20 0.43

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
SCHEMBL5230999 0.88 UTRN (0.52) UTRNCETPALDH1A1TP53SMN1; SMN2
SCHEMBL6286299 0.86 UTRN (0.52) UTRNCETPALDH1A1TP53SMN1; SMN2
SCHEMBL5227432 0.84 ACSL1 (0.53) ALDH1A1TP53SMN1; SMN2TSHRKDM4E
SCHEMBL5995331 0.84 ACSL1 (0.53) ALDH1A1TP53SMN1; SMN2TSHRKDM4E
SCHEMBL5227337 0.80 UTRN (0.53) UTRNALDH1A1TP53SMN1; SMN2TSHR
SCHEMBL5227639 0.80 UTRN (0.62) UTRNALDH1A1TP53SMN1; SMN2TSHR
SCHEMBL11742141 0.78 KMT2A (0.53) ALDH1A1TP53SMN1; SMN2TSHRHPGD
SCHEMBL6284582 0.78 CETP (0.51) UTRNCETPALDH1A1SMN1; SMN2TSHR
SCHEMBL13254502 0.78 CETP (0.44) UTRNCETPALDH1A1TP53TSHR
SCHEMBL13254511 0.77 TSHR (0.52) UTRNCETPALDH1A1TP53SMN1; SMN2

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 3383/4885CETP 1617/4885ALDH1A1 69/4885
US-20040192702-A1 Heteroaryl alkyl piperazine derivatives ATP2A1, CPT1B, ATP2A3 UTRN 1904/4885CETP 3376/4885ALDH1A1 110/4885
US-20030216409-A1 Heteroaryl alkyl piperazine derivatives ATP2A1, CPT1B, ATP2A3 UTRN 1904/4885CETP 3376/4885ALDH1A1 110/4885

“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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