SCHEMBL18328262

SCHEMBL18328262

COC(=O)Cn1nc(C(F)(F)F)c2c1CCC1(C2)OCCO1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.44
▸ TSHR P16473 5/20 0.43
▸ GAA P10253 2/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ MAPT P10636 4/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ TP53 P04637 3/20 0.41
▸ POLB P06746 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40

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
SCHEMBL14487500 0.89 TRPM2 (0.46) LMNATSHRGAANPSR1TDP1
SCHEMBL18854207 0.87 LMNA (0.39) LMNATSHRGAANPSR1TDP1
SCHEMBL15708707 0.86 LMNA (0.60) LMNATSHRGAANPSR1TDP1
SCHEMBL18325701 0.85 GABRP (0.35) LMNATSHRGAASMN1; SMN2HSD17B10
SCHEMBL15730151 0.77 LMNA (0.31) LMNATSHRGAANPSR1ALDH1A1
SCHEMBL21562972 0.76 GABRP (0.34) GAANPSR1MEN1KMT2AALDH1A1
SCHEMBL18325699 0.73 ALDH1A1 (0.40) LMNATSHRGAANPSR1SMN1; SMN2
SCHEMBL14555336 0.73 — —
SCHEMBL18317199 0.70 LMNA (0.49) LMNATSHRGAANPSR1TDP1
SCHEMBL15724338 0.70 LMNA (0.44) LMNATSHRGAANPSR1TDP1

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-10202353-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2019-02-12 — — US disclosed
US-20160368881-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-12-22 — — 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-20160368881-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, RPL35 LMNA 3258/4885TSHR 4700/4885GAA 24/4885
US-10202353-B2 Therapeutic compounds RPL35, SARS1, HAVCR2 LMNA 3179/4885TSHR 4727/4885GAA 26/4885

“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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