SCHEMBL8302412

SCHEMBL8302412

NC(=O)C[C@H](N)Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.61
ALPI P09923 1/20 0.57
PKM P14618 1/20 0.57
PTGS1 P23219 1/20 0.57
XIAP P98170 1/20 0.57
SLC7A5 Q01650 1/20 0.57
ANPEP P15144 2/20 0.53
MMP2 P08253 3/20 0.53
SLC1A3 P43003 2/20 0.52
SLC1A2 P43004 2/20 0.52
SLC1A1 P43005 2/20 0.52
DPP4 P27487 1/20 0.51
CYP1A2 P05177 1/20 0.50
SLC15A1 P46059 1/20 0.49
LAP3 P28838 3/20 0.48
CPA1 P15085 2/20 0.48
CPB1 P15086 1/20 0.48
CPA3 P15088 1/20 0.48
CPB2 Q96IY4 1/20 0.48

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
SCHEMBL7346982 1.00 EPHX1 (0.61) EPHX1ALPIPKMPTGS1XIAP
SCHEMBL7346978 1.00 EPHX1 (0.61) EPHX1ALPIPKMPTGS1XIAP
Hydrochloric Acid SCHEMBL28589045 0.98 EPHX1 (0.59) EPHX1ALPIPKMPTGS1XIAP
Hydrochloric Acid SCHEMBL28589046 0.98 EPHX1 (0.59) EPHX1ALPIPKMPTGS1XIAP
Acetic Acid SCHEMBL6692778 0.94 ALPI (0.56) EPHX1ALPIPKMPTGS1XIAP
SCHEMBL8935463 0.93 EPHX1 (0.53) EPHX1ALPIPKMPTGS1XIAP
SCHEMBL123055 0.86 EPHX1 (0.64) EPHX1ALPIPKMPTGS1XIAP
SCHEMBL197907 0.86 EPHX1 (0.64) EPHX1ALPIPKMPTGS1XIAP
SCHEMBL287736 0.86 EPHX1 (0.64) EPHX1ALPIPKMPTGS1XIAP
SCHEMBL17079480 0.85 MAPT (0.49) EPHX1ALPIPKMPTGS1XIAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10287251-B2 Pyrazole derivative or pharmaceutically acceptable salt thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2019-05-14 US disclosed
US-20180170879-A1 PYRAZOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2018-06-21 US disclosed
US-20180170879-A1 PYRAZOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2018-06-21 US disclosed
WO-2011092671-A1 PROLINE DERIVATIVES FOR USE IN THE TREATMENT OF DIABETES RANBAXY LABORATORIES LIMITED (IN) 2011-08-04 WO disclosed
WO-2004085661-A2 PROCESS TO CHIRAL BETA-AMINO ACID DERIVATIVES MERCK & CO., INC (US) 2004-10-07 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-10287251-B2 Pyrazole derivative or pharmaceutically acceptable salt thereof TRPM8, HCN3, HCN4 EPHX1 4037/4885ALPI 3469/4885PKM 1967/4885
US-20180170879-A1 PYRAZOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF TRPM8, HCN3, HCN4 EPHX1 4033/4885ALPI 3128/4885PKM 1905/4885

“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.