SCHEMBL22874162

SCHEMBL22874162

C[C@H](NP(=O)(Oc1ccccc1)Oc1c(Cl)cc(Cl)cc1Cl)C(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ BTN3A1 O00481 4/20 0.51
▸ ELANE P08246 2/20 0.49
▸ TP53 P04637 1/20 0.46
▸ PRTN3 P24158 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ KLK1 P06870 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ GAA P10253 1/20 0.39

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
SCHEMBL18973478 0.91 BTN3A1 (0.52) BTN3A1ELANETP53PRTN3ALDH1A1
SCHEMBL22065701 0.88 BTN3A1 (0.53) BTN3A1ELANETP53PRTN3KLK1
SCHEMBL18973471 0.88 TP53 (0.56) BTN3A1ELANETP53PRTN3ALDH1A1
SCHEMBL18973482 0.87 BTN3A1 (0.49) BTN3A1ELANETP53PRTN3ALDH1A1
SCHEMBL24505391 0.87 BTN3A1 (0.60) BTN3A1ELANETP53PRTN3ALDH1A1
SCHEMBL18973549 0.87 BTN3A1 (0.60) BTN3A1ELANETP53PRTN3ALDH1A1
SCHEMBL22066289 0.84 BTN3A1 (0.52) BTN3A1ELANETP53PRTN3HPGD
SCHEMBL22066286 0.84 BTN3A1 (0.49) BTN3A1ELANETP53PRTN3ALDH1A1
SCHEMBL18973573 0.84 BTN3A1 (0.49) BTN3A1ELANETP53PRTN3ALDH1A1
SCHEMBL15593268 0.84 BTN3A1 (0.49) BTN3A1ELANETP53PRTN3ALDH1A1

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-20210009625-A1 DIASTEREOSELECTIVE SYNTHESIS OF PHOSPHATE DERIVATIVES LAURUS LABS PRIVATE LTD (IN) 2021-01-14 — — 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-20210009625-A1 DIASTEREOSELECTIVE SYNTHESIS OF PHOSPHATE DERIVATIVES TYMP, PNP, DPYD BTN3A1 4228/4885ELANE 4731/4885TP53 522/4885

“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.

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