SCHEMBL7798751

SCHEMBL7798751

CC1CN(C(=O)Nc2ccc(C(F)(F)F)cc2F)Cc2sc(C(=O)NO)cc21

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.37
KDM4E B2RXH2 3/20 0.36
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35
HDAC6 Q9UBN7 3/20 0.35
HDAC1 Q13547 3/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC3 O15379 1/20 0.35
THRB P10828 1/20 0.35
GAA P10253 1/20 0.35
FPR1 P21462 5/20 0.34
FPR2 P25090 5/20 0.34
AR P10275 1/20 0.34
KIF11 P52732 1/20 0.34
GRIN2B Q13224 1/20 0.33

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
SCHEMBL7787385 0.74 HDAC1 (0.39) KDM4EHDAC6HDAC1HDAC2HDAC3
SCHEMBL7795801 0.72 HDAC6 (0.53) HDAC6
SCHEMBL15403024 0.72 PDK2 (0.33) KIF11
SCHEMBL7795388 0.70 HDAC6 (0.53) HDAC6
SCHEMBL1173948 0.64 HDAC6 (0.54) KDM4EHDAC6GAAGRIN2B
SCHEMBL31434967 0.63 CYP1A2 (0.56) HDAC6HDAC1GAAKIF11
SCHEMBL9185909 0.63 CYP1A2 (0.56) HDAC6HDAC1GAAKIF11
SCHEMBL12868896 0.62 HDAC6 (0.55) KDM4ETAS1R3TAS1R1TAS1R2HDAC6
SCHEMBL1174395 0.62 L3MBTL1 (0.47) KDM4EHDAC6HDAC1
SCHEMBL19358889 0.62 KIF11 (0.56) KDM4EKIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-11-06 US disclosed
US-20110046157-A1 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-24 US disclosed
WO-2010151317-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-12-29 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 (2 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-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC5, HDAC1 CCR1 760/4885KDM4E 903/4885TAS1R3 3620/4885
US-20110046157-A1 Substituted hydroxamic acids and uses thereof HDAC6, HDAC5, HDAC1 CCR1 760/4885KDM4E 903/4885TAS1R3 3620/4885

“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.