SCHEMBL718622

SCHEMBL718622

CC(C)CC(=O)O[C@H]1CC[C@H](NC(=O)c2ccc(-c3ccc(S(C)(=O)=O)cc3)cc2F)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.41
NAAA Q02083 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.39
TTK P33981 1/20 0.38
SCN5A Q14524 1/20 0.38
SCN9A Q15858 1/20 0.38
MAPK14 Q16539 1/20 0.38
CNR1 P21554 2/20 0.38
CNR2 P34972 2/20 0.38
ROCK2 O75116 1/20 0.38
CTSK P43235 1/20 0.37
CTSC P53634 1/20 0.37
RIPK2 O43353 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL720914 0.81 KMT2A (0.47) HRH3NAAASMN1; SMN2ALDH1A1KMT2A
SCHEMBL720913 0.81 KMT2A (0.47) HRH3NAAASMN1; SMN2ALDH1A1KMT2A
SCHEMBL719074 0.81 PTGS2 (0.37) CTSKCTSC
SCHEMBL720786 0.77 GPR119 (0.41) HRH3NAAASMN1; SMN2ALDH1A1CNR2
SCHEMBL718769 0.76 CTSK (0.37) ALDH1A1KMT2ACNR1CNR2CTSK
SCHEMBL720584 0.74 PTGS1 (0.38) CTSKCTSC
Hydrochloric Acid SCHEMBL4733281 0.69 PDE4B (0.50) ALDH1A1KMT2A
SCHEMBL10052770 0.68 TAS1R3 (0.49) NAAAKMT2AMAPK14CNR1CNR2
SCHEMBL719665 0.67 NPC1 (0.52) KMT2A
SCHEMBL719735 0.66 NAAA (0.38) NAAA

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-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
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 HRH3 870/4885NAAA 2254/4885SMN1; SMN2 424/4885

“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.