SCHEMBL22066004

SCHEMBL22066004

C[C@H](NP(=O)(Oc1ccc(Cl)cc1C#N)Oc1cccc2ccccc12)C(=O)OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.39
▸ G6PD P11413 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ HPGD P15428 2/20 0.38
▸ CTSV O60911 1/20 0.38
▸ CTSL P07711 1/20 0.38
▸ CTSB P07858 1/20 0.38
▸ CTSS P25774 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TRPM4 Q8TD43 1/20 0.38
▸ BTN3A1 O00481 1/20 0.38
▸ TP53 P04637 1/20 0.36
▸ NOS2 P35228 1/20 0.36
▸ MRGPRX4 Q96LA9 1/20 0.35
▸ TACR1 P25103 1/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ GLA P06280 1/20 0.34

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 0.90 BTN3A1 (0.41) ALDH1A1CTSLCTSBCTSSSMN1; SMN2
SCHEMBL22066006 0.90 BTN3A1 (0.38) ALDH1A1HPGDCTSLCTSBCTSS
SCHEMBL22065784 0.89 BTN3A1 (0.46) ALDH1A1HPGDCTSLCTSBCTSS
SCHEMBL22065045 0.89 POLB (0.42) POLBG6PDALDH1A1HPGDNPC1
SCHEMBL22065646 0.87 POLB (0.41) POLBG6PDALDH1A1HPGDRAB9A
SCHEMBL22066001 0.86 MRGPRX4 (0.43) ALDH1A1HPGDCTSVCTSLCTSB
SCHEMBL22066002 0.86 BTN3A1 (0.38) ALDH1A1HPGDCTSVCTSLCTSB
SCHEMBL22065043 0.85 BTN3A1 (0.47) POLBG6PDALDH1A1HPGDNPC1
SCHEMBL22066301 0.85 MRGPRX4 (0.43) POLBG6PDALDH1A1HPGDTRPM4
SCHEMBL22065044 0.84 BTN3A1 (0.43) POLBALDH1A1HPGDNPC1RAB9A

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-20220402962-A1 SYNTHESIS OF PHOSPHATE DERIVATIVES NuCana plc (GB) 2022-12-22 — — US disclosed
US-20200181186-A1 SYNTHESIS OF PHOSPHATE DERIVATIVES 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 (2 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-20200181186-A1 SYNTHESIS OF PHOSPHATE DERIVATIVES PPA1, PPIP5K2, TYMP POLB 450/4885G6PD 13/4885ALDH1A1 2573/4885
US-20220402962-A1 SYNTHESIS OF PHOSPHATE DERIVATIVES PNP, NTPCR, TYMP POLB 68/4885G6PD 574/4885ALDH1A1 2781/4885

“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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