SCHEMBL22646512

SCHEMBL22646512

CCC(CC)CCC(=O)[C@H](C)NP(=O)(OCC1O[C@@](C)(c2ccc3c(N)ncnn23)[C@H](O)[C@@H]1O)Oc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ RIPK1 Q13546 4/20 0.34
▸ POLRMT O00411 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
SCHEMBL22096278 0.90 CYP3A4 (0.39) CYP3A4CYP2C9RIPK1
SCHEMBL18636473 0.90 CYP3A4 (0.39) CYP3A4CYP2C9RIPK1
SCHEMBL18667331 0.90 CYP3A4 (0.39) CYP3A4CYP2C9RIPK1
SCHEMBL18666874 0.90 CYP3A4 (0.39) CYP3A4CYP2C9RIPK1
SCHEMBL18636467 0.90 CYP3A4 (0.39) CYP3A4CYP2C9RIPK1
SCHEMBL18636470 0.90 CYP3A4 (0.39) CYP3A4CYP2C9RIPK1
SCHEMBL20878382 0.90 CYP3A4 (0.39) CYP3A4CYP2C9RIPK1
SCHEMBL22646519 0.90 TMPRSS2 (0.40) CYP3A4CYP2C9RIPK1POLRMT
SCHEMBL22646518 0.90 TMPRSS2 (0.40) CYP3A4CYP2C9RIPK1POLRMT
SCHEMBL25012467 0.89 CYP3A4 (0.40) CYP3A4CYP2C9RIPK1

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-11007208-B2 Methods for treating arenaviridae and coronaviridae virus infections GILEAD SCIENCES, INC. (US) 2021-05-18 — — US disclosed
US-20200352967-A1 METHODS FOR TREATING ARENAVIRIDAE AND CORONAVIRIDAE VIRUS INFECTIONS GILEAD SCIENCES, INC. 2020-11-12 — — 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-11007208-B2 Methods for treating arenaviridae and coronaviridae virus infections ACE, PNP, ACE2 CYP3A4 1145/4885CYP2C9 2167/4885RIPK1 902/4885
US-20200352967-A1 METHODS FOR TREATING ARENAVIRIDAE AND CORONAVIRIDAE VIRUS INFECTIONS ACE, PNP, ACE2 CYP3A4 1145/4885CYP2C9 2167/4885RIPK1 902/4885

“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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