SCHEMBL718769

SCHEMBL718769

CC(C)CC(=O)NC1CCC(Oc2c(F)cc(-c3ccc(S(C)(=O)=O)cc3)cc2F)CC1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.37
CTSC P53634 3/20 0.37
PTGS1 P23219 5/20 0.36
KMT2A Q03164 1/20 0.36
SRD5A2 P31213 1/20 0.36
GPR119 Q8TDV5 3/20 0.35
PTGS2 P35354 1/20 0.35
LIPG Q9Y5X9 2/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
KIF11 P52732 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CLK1 P49759 1/20 0.35
FAAH O00519 1/20 0.35

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
SCHEMBL719074 0.85 PTGS2 (0.37) CTSKCTSCPTGS1SRD5A2GPR119
SCHEMBL718908 0.79 PTGS2 (0.46) PTGS1GPR119PTGS2KIF11
SCHEMBL720584 0.78 PTGS1 (0.38) CTSKCTSCPTGS1SRD5A2GPR119
SCHEMBL720234 0.76 KIF11 (0.44) PTGS1PTGS2KIF11
SCHEMBL720365 0.76 KIF11 (0.44) PTGS1PTGS2KIF11
SCHEMBL718622 0.76 HRH3 (0.41) CTSKCTSCKMT2ACNR1CNR2
SCHEMBL390791 0.74 GPR119 (0.64) GPR119
SCHEMBL719735 0.74 NAAA (0.38) PTGS1GPR119PTGS2KIF11
SCHEMBL720225 0.73 GPR119 (0.44) PTGS1GPR119PTGS2
SCHEMBL720579 0.72 PTGS2 (0.41) PTGS1PTGS2KIF11

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-20120053180-A1 CYCLOHEXANE ANALOGUES AS GPR119 AGONISTS CHEMIZON, A DIVISION OF OPTOMAGIC CO., LTD. (KR) 2012-03-01 US disclosed
US-20120053180-A1 CYCLOHEXANE ANALOGUES AS GPR119 AGONISTS CHEMIZON, A DIVISION OF OPTOMAGIC CO., LTD. (KR) 2012-03-01 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-20120053180-A1 CYCLOHEXANE ANALOGUES AS GPR119 AGONISTS GPR119, GLP1R, GIPR CTSK 1604/4885CTSC 58/4885PTGS1 1341/4885

“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.