SCHEMBL19732440

SCHEMBL19732440

Cc1cc(-c2coc(-c3cccc(C(C)(C)C)c3)n2)cc(C(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP3 O14638 5/20 0.46
▸ HSD17B1 P14061 1/20 0.45
▸ HSD17B2 P37059 1/20 0.45
▸ KIF11 P52732 1/20 0.41
▸ ENPP1 P22413 3/20 0.41
▸ RXRA P19793 2/20 0.37
▸ RXRB P28702 2/20 0.37
▸ CTSS P25774 1/20 0.36
▸ CTSK P43235 1/20 0.36
▸ OPRM1 P35372 1/20 0.36
▸ OPRD1 P41143 1/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ SCN9A Q15858 1/20 0.35
▸ TMEM97 Q5BJF2 1/20 0.34
▸ SIGMAR1 Q99720 1/20 0.34
▸ NPC1 O15118 3/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ HPGD P15428 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL17920867 0.83 ENPP3 (0.51) ENPP3HSD17B1HSD17B2KIF11ENPP1
SCHEMBL17920863 0.77 ENPP3 (0.56) ENPP3KIF11ENPP1RXRARXRB
SCHEMBL17922274 0.72 ENPP3 (0.65) ENPP3HSD17B1HSD17B2ENPP1SCN9A
SCHEMBL30717774 0.71 KIF11 (0.55) KIF11RXRARXRBOPRM1OPRD1
SCHEMBL26251831 0.71 RAB9A (0.46) ENPP3NPC1RAB9AHPGDTSHR
SCHEMBL17920862 0.70 KIF11 (0.44) ENPP3HSD17B1HSD17B2KIF11RXRA
SCHEMBL12171778 0.69 RXRA (0.52) ENPP3HSD17B1HSD17B2ENPP1RXRA
SCHEMBL27009164 0.68 ENPP3 (0.56) ENPP3ENPP1SCN9ANPC1RAB9A
SCHEMBL12449562 0.68 TP53 (0.54) KIF11NPC1RAB9AHPGDTSHR
SCHEMBL23959636 0.67 KIF11 (0.54) KIF11RXRARXRBCTSSCTSK

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-10316017-B2 COT modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2019-06-11 — — US disclosed
US-20170362201-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2017-12-21 — — 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-20170362201-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS ENPP3 681/4885HSD17B1 4091/4885HSD17B2 3508/4885
US-10316017-B2 COT modulators and methods of use thereof BRDT, THRB, HCCS ENPP3 681/4885HSD17B1 4091/4885HSD17B2 3508/4885

“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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