SCHEMBL56961

SCHEMBL56961

CCC(C(=O)NCC(=O)OCc1ccccc1)c1ccccc1OP(=O)(O)CCC(NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.41
CTSL P07711 4/20 0.41
SYK P43405 1/20 0.40
TACR1 P25103 1/20 0.40
CTSK P43235 6/20 0.40
CTSB P07858 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ABCC3 O15438 1/20 0.40
NR1I2 O75469 1/20 0.40
ABCB11 O95342 1/20 0.40
NR3C1 P04150 1/20 0.40
RARG P13631 1/20 0.40
CNR1 P21554 1/20 0.40
OPRK1 P41145 1/20 0.40
NR1H2 P55055 1/20 0.40
PPARA Q07869 1/20 0.40

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
SCHEMBL56963 0.77 PRTN3 (0.46) CTSSCTSLCTSKCTSBCYP1A2
SCHEMBL57018 0.76 CTSL (0.48) CTSSCTSLCTSKMMEECE1
SCHEMBL21174053 0.75 KYNU (0.58) CTSSCTSLTACR1CTSKCTSB
SCHEMBL21189192 0.75 KYNU (0.58) CTSSCTSLTACR1CTSKCTSB
SCHEMBL56407 0.74 OPRK1 (0.44) CTSSCTSLTACR1CTSKOPRK1
SCHEMBL56934 0.73 CASP1 (0.53) CTSSCTSLTACR1CTSKCTSB
SCHEMBL56919 0.73 CTSL (0.43) CTSSCTSLTACR1CTSKKYNU
SCHEMBL56757 0.72 HDAC1 (0.51) CTSLCTSB
SCHEMBL56582 0.72 ALDH1A1 (0.43) CTSLCTSBCYP1A2CYP3A4CYP2C19
SCHEMBL21174049 0.72 TACR1 (0.53) CTSSCTSLTACR1CTSKCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129557-B2 Phosphonic acid diester derivative and method for producing thereof Nagai, Kazuhiro (JP) 2012-03-06 US disclosed
US-20090163725-A1 PHOSPHONIC ACID DIESTER DERIVATIVE AND METHOD FOR PRODUCING THEREOF HIRATAKE, GOU (JP) 2009-06-25 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-20090163725-A1 PHOSPHONIC ACID DIESTER DERIVATIVE AND METHOD FOR PRODUCING THEREOF PPA1, G6PD, PHOSPHO1 CTSS 4115/4885CTSL 3139/4885SYK 2402/4885

“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.