SCHEMBL56963

SCHEMBL56963

CCC(OP(=O)(CCC(NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1)Oc1ccccc1)C(=O)NCC(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRTN3 P24158 2/20 0.46
ELANE P08246 2/20 0.46
CTSL P07711 4/20 0.43
CTSS P25774 4/20 0.43
KLK1 P06870 1/20 0.42
CTSB P07858 3/20 0.41
CTSK P43235 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ABCC3 O15438 1/20 0.41
NR1I2 O75469 1/20 0.41
ABCB11 O95342 1/20 0.41
NR3C1 P04150 1/20 0.41
RARG P13631 1/20 0.41
CNR1 P21554 1/20 0.41
OPRK1 P41145 1/20 0.41
NR1H2 P55055 1/20 0.41

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
SCHEMBL56962 0.81 CYP1A2 (0.39) PRTN3ELANECYP1A2CYP3A4CYP2D6
SCHEMBL57020 0.78 PRTN3 (0.53) PRTN3ELANECTSLCTSSKLK1
SCHEMBL56936 0.77 CASP1 (0.48) PRTN3ELANECTSLCTSSKLK1
SCHEMBL56961 0.77 CTSS (0.41) PRTN3CTSLCTSSCTSBCTSK
SCHEMBL57116 0.77 ATM (0.51) PRTN3ELANECTSLCTSSKLK1
SCHEMBL57869 0.76 KYNU (0.46) PRTN3ELANECTSLCTSSKLK1
SCHEMBL21189146 0.76 KYNU (0.46) PRTN3ELANECTSLCTSSKLK1
SCHEMBL21189177 0.76 KYNU (0.46) PRTN3ELANECTSLCTSSKLK1
SCHEMBL56409 0.76 KYNU (0.50) PRTN3ELANECTSLCTSSKLK1
SCHEMBL21174074 0.75 KYNU (0.59) PRTN3ELANECTSLCTSSCTSB

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 PRTN3 2011/4885ELANE 2769/4885CTSL 3139/4885

“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.