SCHEMBL934147

SCHEMBL934147

NC(=O)CCCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.57
HDAC8 Q9BY41 2/20 0.57
TAAR1 Q96RJ0 1/20 0.55
PTPN2 P17706 1/20 0.51
PTPN1 P18031 1/20 0.51
PTPN6 P29350 1/20 0.51
PTPN11 Q06124 1/20 0.51
FFAR1 O14842 2/20 0.49
MAOB P27338 2/20 0.49
NR3C2 P08235 1/20 0.48
PDPK1 O15530 1/20 0.48
IDO1 P14902 2/20 0.47
PLAAT3 P53816 1/20 0.47
PLAAT5 Q96KN8 1/20 0.47
PLAAT2 Q9NWW9 1/20 0.47
PLAAT4 Q9UL19 1/20 0.47
FDFT1 P37268 2/20 0.45
HDAC3 O15379 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44

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
Hydrochloric Acid SCHEMBL30882461 0.98 HDAC1 (0.55) HDAC1HDAC8TAAR1PTPN2PTPN1
SCHEMBL25138775 0.95 HDAC1 (0.59) HDAC1HDAC8TAAR1PTPN2PTPN1
SCHEMBL934424 0.93 HDAC1 (0.58) HDAC1HDAC8TAAR1PTPN2PTPN1
SCHEMBL2316007 0.91 TAAR1 (0.57) HDAC1HDAC8TAAR1FFAR1MAOB
SCHEMBL14188237 0.86 HDAC1 (0.67) HDAC1HDAC8TAAR1PTPN2PTPN1
SCHEMBL3634320 0.86 MAOB (0.59) HDAC1HDAC8TAAR1FFAR1MAOB
SCHEMBL1454387 0.85 FFAR1 (0.60) HDAC1HDAC8TAAR1FFAR1PDPK1
Hydrochloric Acid SCHEMBL2763476 0.84 FFAR1 (0.59) HDAC1HDAC8TAAR1FFAR1PDPK1
SCHEMBL5182649 0.84 HDAC1 (0.55) HDAC1HDAC8TAAR1PTPN2PTPN1
SCHEMBL27458184 0.84 NR1H4 (0.44) HDAC1HDAC8PTPN2PTPN1PTPN6

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
CN-1780821-A Heterocyclic kinase inhibitors. ABBOTT LAB (US) 2006-05-31 CN claimed
EP-1073633-A2 SUBSTITUTED BETA-AMINO ACID INHIBITORS OF METHIONINE AMINOPEPTIDASE-2 ABBOTT LABORATORIES (US) 2001-02-07 EP claimed
WO-1999057098-A2 SUBSTITUTED BETA-AMINO ACID INHIBITORS OF METHIONINE AMINOPEPTIDASE-2 ABBOTT LABORATORIES (US) 1999-11-11 WO claimed
US-8809280-B2 Therapeutic peptides LYTIX BIOPHARMA AS (NO) 2014-08-19 US disclosed
US-20130035296-A1 THERAPEUTIC PEPTIDES LYTIX BIOPHARMA AS (NO) 2013-02-07 US disclosed
WO-2011006935-A2 TETRAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2011-01-20 WO disclosed
CN-1780821-A Heterocyclic kinase inhibitors. ABBOTT LAB (US) 2006-05-31 CN disclosed
US-5698552-A EXHIBIT PLATELET ACTIVATING FACTOR-ANTAGONISTIC ACTIVITY BOEHRINGER INGELHEIM KG (DE) 1997-12-16 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-20130035296-A1 THERAPEUTIC PEPTIDES VIP, LNPEP, ANPEP HDAC1 3756/4885HDAC8 3871/4885TAAR1 4095/4885

“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.