SCHEMBL17040294

SCHEMBL17040294

CC(C)C(=O)NCCc1cccc(Oc2ccccc2)c1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GLI1 P08151 1/20 0.64
GLI2 P10070 1/20 0.64
FDFT1 P37268 4/20 0.59
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
KMT2A Q03164 1/20 0.57
PTGES O14684 1/20 0.53
PLAAT3 P53816 1/20 0.51
PLAAT5 Q96KN8 1/20 0.51
PLAAT2 Q9NWW9 1/20 0.51
PLAAT4 Q9UL19 1/20 0.51
AKR1C3 P42330 1/20 0.51
CTSD P07339 1/20 0.50

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
SCHEMBL17037435 0.90 GLI1 (0.61) GLI1GLI2FDFT1PTGESPLAAT3
SCHEMBL14521444 0.87 CYP2D6 (0.61) GLI1GLI2CYP2D6CYP2C9CYP2C19
SCHEMBL2772929 0.84 FDFT1 (0.66) GLI1GLI2FDFT1PLAAT3PLAAT5
SCHEMBL11533548 0.83 GLI1 (0.81) GLI1GLI2FDFT1CYP2D6KMT2A
SCHEMBL7866857 0.82 KMT2A (0.81) CYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL10106169 0.82 MTNR1A (0.68) FDFT1AKR1C3
SCHEMBL9781817 0.81 FDFT1 (0.59) GLI1GLI2FDFT1CYP2D6PTGES
Hydrochloric Acid SCHEMBL27729415 0.81 KMT2A (0.78) CYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL5354570 0.79 FDFT1 (0.57) GLI1GLI2FDFT1PLAAT3PLAAT5
SCHEMBL9352820 0.79 FFAR1 (0.55) FDFT1PTGES

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
US-9586931-B2 Triazolyl derivatives as Syk inhibitors MERCK SHARP & DOHME CORP. (US) 2017-03-07 US disclosed
US-20150239866-A1 TRIAZOLYL DERIVATIVES AS SYK INHIBITORS MERCK CANADA INC. (CA) 2015-08-27 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-20150239866-A1 TRIAZOLYL DERIVATIVES AS SYK INHIBITORS SYK, BTK, TYRO3 GLI1 4207/4885GLI2 3274/4885FDFT1 913/4885

“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.