SCHEMBL14595243

SCHEMBL14595243

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

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 2/20 0.74
SYK P43405 1/20 0.64
CYP3A4 P08684 2/20 0.58
CTSL P07711 4/20 0.56
CTSK P43235 4/20 0.56
CTSB P07858 3/20 0.56
CTSS P25774 3/20 0.56
TRPM8 Q7Z2W7 1/20 0.55
ALDH1A1 P00352 1/20 0.55
ALOX15 P16050 1/20 0.55
TACR1 P25103 2/20 0.54
ATM Q13315 1/20 0.53
HPGD P15428 1/20 0.52

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
SCHEMBL8900969 1.00 CTRB1 (0.74) CTRB1SYKCYP3A4CTSLCTSK
SCHEMBL12220545 0.92 SYK (0.69) CTRB1SYKCTSLCTSKCTSB
SCHEMBL14370507 0.91 ATM (0.62) CTRB1SYKCYP3A4CTSLCTSK
SCHEMBL2636259 0.88 SYK (0.64) CTRB1SYKCYP3A4CTSLCTSK
SCHEMBL11528148 0.88 SYK (0.64) CTRB1SYKCYP3A4CTSLCTSK
SCHEMBL213314 0.88 SYK (0.64) CTRB1SYKCYP3A4CTSLCTSK
SCHEMBL20315241 0.87 CTRB1 (0.76) CTRB1SYKCYP3A4CTSLCTSK
SCHEMBL15288192 0.87 SYK (0.63) CTRB1SYKCYP3A4CTSLCTSK
SCHEMBL27351869 0.87 SYK (0.63) CTRB1SYKCTSLCTSKCTSB
SCHEMBL10250740 0.87 SYK (0.63) CTRB1SYKCYP3A4CTSLCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070072835-A1 Method of preparing and use of prodrugs of betulinic acid derivatives THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2007-03-29 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-20070072835-A1 Method of preparing and use of prodrugs of betulinic acid derivatives BET1, PGGT1B, RABGGTB CTRB1 499/4885SYK 4256/4885CYP3A4 519/4885

“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.