SCHEMBL22066301

SCHEMBL22066301

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 5/20 0.43
▸ BTN3A1 O00481 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ G6PD P11413 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ TRPM4 Q8TD43 1/20 0.38
▸ LRRK2 Q5S007 1/20 0.37
▸ HTT P42858 1/20 0.36
▸ TRPV1 Q8NER1 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TACR1 P25103 1/20 0.35

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
SCHEMBL20833582 0.90 BTN3A1 (0.43) MRGPRX4BTN3A1ALDH1A1HTTMAPT
SCHEMBL22066299 0.90 BTN3A1 (0.39) MRGPRX4BTN3A1ALDH1A1HPGDHTT
SCHEMBL22065040 0.89 BTN3A1 (0.48) MRGPRX4BTN3A1ALDH1A1HPGDLRRK2
SCHEMBL22065045 0.89 POLB (0.42) MRGPRX4BTN3A1POLBG6PDALDH1A1
SCHEMBL22066302 0.88 BTN3A1 (0.39) MRGPRX4BTN3A1POLBG6PDALDH1A1
SCHEMBL22065646 0.87 POLB (0.41) MRGPRX4BTN3A1POLBG6PDALDH1A1
SCHEMBL20833581 0.86 MRGPRX4 (0.49) MRGPRX4LRRK2
SCHEMBL22065043 0.85 BTN3A1 (0.47) BTN3A1POLBG6PDALDH1A1HPGD
SCHEMBL22066004 0.85 POLB (0.39) MRGPRX4BTN3A1POLBG6PDALDH1A1
SCHEMBL22065044 0.84 BTN3A1 (0.43) MRGPRX4BTN3A1POLBALDH1A1HPGD

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 MRGPRX4 4643/4885BTN3A1 4531/4885POLB 450/4885
US-20220402962-A1 SYNTHESIS OF PHOSPHATE DERIVATIVES PNP, NTPCR, TYMP MRGPRX4 4449/4885BTN3A1 2948/4885POLB 68/4885

“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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