SCHEMBL1853227

SCHEMBL1853227

CCCCCCCCCCCc1nc(-c2ccc(CN(Cc3ccc(C(F)(F)F)cc3)C(=O)O)cc2)no1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 7/20 0.64
HDAC2 Q92769 6/20 0.64
HDAC1 Q13547 6/20 0.64
SIRT2 Q8IXJ6 1/20 0.55
SPHK1 Q9NYA1 1/20 0.52
FFAR1 O14842 1/20 0.51
S1PR2 O95136 1/20 0.50
S1PR1 P21453 1/20 0.50
S1PR3 Q99500 1/20 0.50
LPAR2 Q9HBW0 1/20 0.50
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
ATM Q13315 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL1851267 0.93 HDAC8 (0.58) HDAC8HDAC2HDAC1SIRT2SPHK1
SCHEMBL4669852 0.89 HDAC8 (0.58) HDAC8HDAC2HDAC1SIRT2SPHK1
SCHEMBL1857841 0.89 HDAC8 (0.56) HDAC8HDAC2HDAC1SIRT2SPHK1
SCHEMBL1854710 0.88 HDAC1 (0.55) HDAC8HDAC2HDAC1SIRT2SPHK1
SCHEMBL6725294 0.82 S1PR1 (0.62) HDAC8HDAC2HDAC1SIRT2SPHK1
SCHEMBL6424097 0.82 SPHK1 (0.47) HDAC8HDAC2HDAC1SPHK1S1PR1
Hydrochloric Acid SCHEMBL1856614 0.81 S1PR1 (0.61) HDAC8HDAC2HDAC1SIRT2SPHK1
SCHEMBL6022624 0.81 SPHK1 (0.46) HDAC8HDAC2HDAC1SPHK1S1PR2
SCHEMBL5047433 0.81 SIRT2 (0.58) HDAC8HDAC2HDAC1SIRT2SPHK1
Trifluoroacetic Acid SCHEMBL26690855 0.80 SPHK1 (0.59) HDAC8HDAC2HDAC1SPHK1S1PR2

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
EP-1470102-B1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) MERCK SERONO SA (CH) 2011-05-25 EP disclosed
US-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) APPLIED RESEARCH SYSTEMS ARS (NL) 2005-06-09 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-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) PTPRS, PTPA, PTPMT1 HDAC8 2841/4885HDAC2 3297/4885HDAC1 2136/4885

“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.