SCHEMBL22096276

SCHEMBL22096276

CCC(CC)COC(=O)[C@H](C)NP(=O)(N[C@@H](C)C(=O)OCC(CC)CC)OC[C@H]1O[C@@](C)(c2ccc3c(N)ncnn23)[C@H](O)[C@@H]1O

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ POLRMT O00411 1/20 0.33
▸ KRAS P01116 1/20 0.32
▸ RIPK1 Q13546 3/20 0.32
▸ TMPRSS2 O15393 1/20 0.31

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
SCHEMBL22739002 0.94 KRAS (0.31) POLRMTKRASRIPK1
SCHEMBL20762571 0.92 POLRMT (0.34) POLRMTRIPK1TMPRSS2
SCHEMBL18666928 0.92 POLRMT (0.34) POLRMTRIPK1TMPRSS2
SCHEMBL18667331 0.90 CYP3A4 (0.39) KRASRIPK1
SCHEMBL22096278 0.90 CYP3A4 (0.39) KRASRIPK1
SCHEMBL18636470 0.90 CYP3A4 (0.39) KRASRIPK1
SCHEMBL18636467 0.90 CYP3A4 (0.39) KRASRIPK1
SCHEMBL18666874 0.90 CYP3A4 (0.39) KRASRIPK1
SCHEMBL20878382 0.90 CYP3A4 (0.39) KRASRIPK1
SCHEMBL18636473 0.90 CYP3A4 (0.39) KRASRIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3595672-B1 COMPOUNDS FOR USE IN METHODS OF TREATING FELINE CORONAVIRUS INFECTIONS GILEAD SCIENCES INC (US) 2023-09-06 — — EP disclosed
US-20200376014-A1 METHODS OF TREATING FELINE CORONAVIRUS INFECTIONS GILEAD SCIENCES, INC. 2020-12-03 — — US disclosed
US-10682368-B2 Methods of treating feline coronavirus infections GILEAD SCIENCES, INC. (US) 2020-06-16 — — 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-10682368-B2 Methods of treating feline coronavirus infections SARS1, CPN1, CAT POLRMT 36/4885KRAS 1893/4885RIPK1 2911/4885
US-20200376014-A1 METHODS OF TREATING FELINE CORONAVIRUS INFECTIONS CAT, ACE, ACE2 POLRMT 860/4885KRAS 1549/4885RIPK1 2499/4885

“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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