SCHEMBL22066288

SCHEMBL22066288

C[C@H](NP(=O)(Oc1ccccc1)Oc1ccccc1C#N)C(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BTN3A1 O00481 6/20 0.50
▸ ELANE P08246 2/20 0.46
▸ MAPK1 P28482 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ PRTN3 P24158 2/20 0.43
▸ MAPK14 Q16539 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.40
▸ CTSL P07711 1/20 0.40
▸ CTSB P07858 1/20 0.40
▸ CTSS P25774 1/20 0.40
▸ CTSK P43235 1/20 0.40
▸ KLK1 P06870 1/20 0.40
▸ TP53 P04637 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
SCHEMBL20833580 0.89 BTN3A1 (0.41) BTN3A1ELANEMAPK1SMN1; SMN2PRTN3
SCHEMBL22065784 0.88 BTN3A1 (0.46) BTN3A1ELANESMN1; SMN2PRTN3ALDH1A1
SCHEMBL18973687 0.88 BTN3A1 (0.46) BTN3A1ELANEPRTN3ALDH1A1CTSL
SCHEMBL24505391 0.86 BTN3A1 (0.60) BTN3A1ELANEPRTN3ALDH1A1KLK1
SCHEMBL18973549 0.86 BTN3A1 (0.60) BTN3A1ELANEPRTN3ALDH1A1KLK1
SCHEMBL22066287 0.86 BTN3A1 (0.52) BTN3A1ELANEPRTN3CTSLCTSB
SCHEMBL18973688 0.85 BTN3A1 (0.44) BTN3A1ELANESMN1; SMN2PRTN3CTSL
SCHEMBL18973563 0.85 BTN3A1 (0.47) BTN3A1ELANEPRTN3ALDH1A1CTSL
SCHEMBL22065781 0.85 BTN3A1 (0.47) BTN3A1ELANEPRTN3ALDH1A1CTSL
SCHEMBL22066289 0.84 BTN3A1 (0.52) BTN3A1ELANEPRTN3KLK1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220402962-A1 SYNTHESIS OF PHOSPHATE DERIVATIVES NuCana plc (GB) 2022-12-22 — — US disclosed
US-20210009625-A1 DIASTEREOSELECTIVE SYNTHESIS OF PHOSPHATE DERIVATIVES LAURUS LABS PRIVATE LTD (IN) 2021-01-14 — — US disclosed
US-10774104-B2 Diastereoselective synthesis of phosphate derivatives LAURUS LABS PRIVATE LTD (IN) 2020-09-15 — — US disclosed
US-20200181186-A1 SYNTHESIS OF PHOSPHATE DERIVATIVES NuCana plc (GB) 2020-06-11 — — US disclosed
US-20200181190-A1 SYNTHESIS OF 3'-DEOXYADENOSINE-5'-O-[PHENYL(BENZYLOXY-L-ALANINYL)]PHOSPHATE (NUC-7738) NuCana plc (GB) 2020-06-11 — — 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 (5 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-10774104-B2 Diastereoselective synthesis of phosphate derivatives TYMP, PNP, DPYD BTN3A1 4678/4885ELANE 4526/4885MAPK1 3811/4885
US-20200181186-A1 SYNTHESIS OF PHOSPHATE DERIVATIVES PPA1, PPIP5K2, TYMP BTN3A1 4531/4885ELANE 4653/4885MAPK1 2449/4885
US-20220402962-A1 SYNTHESIS OF PHOSPHATE DERIVATIVES PNP, NTPCR, TYMP BTN3A1 2948/4885ELANE 3870/4885MAPK1 3085/4885
US-20210009625-A1 DIASTEREOSELECTIVE SYNTHESIS OF PHOSPHATE DERIVATIVES TYMP, PNP, DPYD BTN3A1 4228/4885ELANE 4731/4885MAPK1 3884/4885
US-20200181190-A1 SYNTHESIS OF 3'-DEOXYADENOSINE-5'-O-[PHENYL(BENZYLOXY-L-ALANINYL)]PHOSPHATE (NUC-7738) PNP, NT5C2, DUT BTN3A1 3995/4885ELANE 3725/4885MAPK1 3979/4885

“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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