SCHEMBL3256171

SCHEMBL3256171

COC(=O)[C@H](CN)NC(=O)OC(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
NPC1 O15118 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
HTT P42858 1/20 0.34
FOLH1 Q04609 7/20 0.34
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TSHR P16473 1/20 0.32
BIRC2 Q13490 1/20 0.32
POLB P06746 1/20 0.32
ALDH1A1 P00352 1/20 0.32
THRB P10828 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MME P08473 1/20 0.32

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
Hydrochloric Acid SCHEMBL3256168 0.98 ALOX15 (0.37) ALOX15SMN1; SMN2CYP2C9CYP2C19NPC1
SCHEMBL12890787 0.80 ALOX15 (0.37) ALOX15CYP2C9CYP2C19CYP1A2HTT
SCHEMBL1770995 0.76 CYP1A2 (0.46) CYP2C9CYP2C19CYP1A2CYP2D6HTT
SCHEMBL8238351 0.76 CYP1A2 (0.46) CYP2C9CYP2C19CYP1A2CYP2D6HTT
SCHEMBL1167043 0.76 CYP1A2 (0.46) CYP2C9CYP2C19CYP1A2CYP2D6HTT
SCHEMBL68755 0.76 ALOX15 (0.38) ALOX15SMN1; SMN2CYP2C9CYP2C19NPC1
Hydrochloric Acid SCHEMBL1770997 0.75 CYP1A2 (0.44) CYP2C9CYP2C19CYP1A2CYP2D6HTT
Hydrochloric Acid SCHEMBL1770994 0.75 CYP1A2 (0.44) CYP2C9CYP2C19CYP1A2CYP2D6HTT
SCHEMBL12658354 0.74 CA14 (0.45) ALOX15SMN1; SMN2CYP2C9CYP2C19NPC1
SCHEMBL7372859 0.74 EPHX1 (0.43) SMN1; SMN2NPC1HPGDRAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1371646-B1 ARYL-SUBSTITUTED ALICYCLIC COMPOUND AND MEDICAL COMPOSITION COMPRISING THE SAME DAINIPPON SUMITOMO PHARMA CO (JP) 2010-05-19 EP disclosed
US-7176199-B2 Aryl-substituted alicyclic compound and medical composition comprising the same DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2007-02-13 US disclosed
US-20040106622-A1 Aryl-substituted alicylic compound and medical composition comprising the same DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2004-06-03 US disclosed
EP-1371646-A1 ARYL-SUBSTITUTED ALICYCLIC COMPOUND AND MEDICAL COMPOSITION COMPRISING THE SAME Dainippon Pharmaceutical Co., Ltd. (JP) 2003-12-17 EP 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-20040106622-A1 Aryl-substituted alicylic compound and medical composition comprising the same ITGB3, ITGB1, ITGAL ALOX15 2002/4885SMN1; SMN2 3827/4885CYP2C9 1105/4885

“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.