SCHEMBL18894570

SCHEMBL18894570

N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)[C@H](O)[C@@H]1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY6 Q15077 2/20 0.48
▸ P2RY14 Q15391 2/20 0.48
▸ NT5E P21589 1/20 0.48
▸ HINT1 P49773 7/20 0.47
▸ LMNA P02545 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ TSHR P16473 2/20 0.44
▸ PMP22 Q01453 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ MPO P05164 1/20 0.44
▸ BLM P54132 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ TACR1 P25103 2/20 0.43
▸ DNPH1 O43598 1/20 0.42
▸ HBB P68871 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ SOS1 Q07889 2/20 0.40
▸ KRAS P01116 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
SCHEMBL22482861 0.89 TACR1 (0.42) P2RY6P2RY14NT5EHINT1LMNA
SCHEMBL22482959 0.89 TACR1 (0.42) P2RY6P2RY14NT5EHINT1LMNA
SCHEMBL22482844 0.89 TACR1 (0.42) P2RY6P2RY14NT5EHINT1LMNA
SCHEMBL22482958 0.89 TACR1 (0.42) P2RY6P2RY14NT5EHINT1LMNA
SCHEMBL18894572 0.89 TACR1 (0.42) P2RY6P2RY14NT5EHINT1LMNA
SCHEMBL24080579 0.85 TACR1 (0.39) P2RY6P2RY14NT5EHINT1LMNA
SCHEMBL24080578 0.85 TACR1 (0.39) P2RY6P2RY14NT5EHINT1LMNA
SCHEMBL11245043 0.85 P2RY6 (0.54) P2RY6P2RY14NT5EHINT1LMNA
SCHEMBL11245047 0.85 P2RY6 (0.54) P2RY6P2RY14NT5EHINT1LMNA
SCHEMBL11244533 0.84 NMBR (0.48) HINT1LMNAMAPTTACR1

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-20220125820-A1 DRUG FORMULATIONS FOR CANCER TREATMENT THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-04-28 — — US disclosed
US-11191774-B2 Drug formulations for cancer treatment THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-12-07 — — US disclosed
US-20200306284-A1 DRUG FORMULATIONS FOR CANCER TREATMENT THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-10-01 — — US disclosed
EP-3380082-A2 DRUG FORMULATIONS FOR CANCER TREATMENT THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-10-03 — — EP disclosed
WO-2017091767-A2 DRUG FORMULATIONS FOR CANCER TREATMENT THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-06-01 — — WO 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 (3 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-20220125820-A1 DRUG FORMULATIONS FOR CANCER TREATMENT RNMT, NTPCR, SYNCRIP P2RY6 1309/4885P2RY14 3673/4885NT5E 71/4885
US-20200306284-A1 DRUG FORMULATIONS FOR CANCER TREATMENT RNMT, NTPCR, SYNCRIP P2RY6 1309/4885P2RY14 3673/4885NT5E 71/4885
US-11191774-B2 Drug formulations for cancer treatment RNMT, NTPCR, SYNCRIP P2RY6 1309/4885P2RY14 3673/4885NT5E 71/4885

“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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