SCHEMBL14927646

SCHEMBL14927646

CO[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 2/20 0.61
TRPM8 Q7Z2W7 1/20 0.59
ALDH1A1 P00352 1/20 0.59
ALOX15 P16050 1/20 0.59
CTSK P43235 4/20 0.56
CTSL P07711 2/20 0.56
CTSB P07858 2/20 0.56
CTSS P25774 2/20 0.56
TACR1 P25103 2/20 0.54
ATM Q13315 2/20 0.53
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
KYNU Q16719 1/20 0.51

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
SCHEMBL12616770 0.88 CTSL (0.57) CTRB1CTSLCTSBNPC1RAB9A
SCHEMBL5544627 0.84 NPC1 (0.53) CTRB1ALDH1A1ATMNPC1RAB9A
SCHEMBL8198038 0.82 CTRB1 (0.58) CTRB1TRPM8ALDH1A1ALOX15CTSK
SCHEMBL8198203 0.82 CTRB1 (0.58) CTRB1TRPM8ALDH1A1ALOX15CTSK
SCHEMBL28141917 0.82 CTRB1 (0.58) CTRB1TRPM8ALDH1A1ALOX15CTSK
SCHEMBL9074306 0.82 CTRB1 (0.58) CTRB1TRPM8ALDH1A1ALOX15CTSK
SCHEMBL3331611 0.82 TRPM8 (0.67) CTRB1TRPM8ALDH1A1ALOX15CTSK
SCHEMBL7151822 0.82 ALDH1A1 (0.74) TRPM8ALDH1A1ALOX15CTSKCTSL
SCHEMBL329686 0.82 ALDH1A1 (0.74) TRPM8ALDH1A1ALOX15CTSKCTSL
SCHEMBL13534727 0.81 NPC1 (0.65) CTRB1TRPM8ALDH1A1ALOX15CTSK

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
US-8895585-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2014-11-25 US disclosed
US-8809371-B2 2014-08-19 US disclosed
US-8772320-B2 2014-07-08 US disclosed
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 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-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF SYK, CD38, BTK CTRB1 2545/4885TRPM8 542/4885ALDH1A1 1638/4885

“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.