SCHEMBL17311985

SCHEMBL17311985

CC12CC[C@@H](C1)N(Cc1ccccc1)[C@@H]2C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.40
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
USP2 O75604 1/20 0.39
GRM6 O15303 1/20 0.39
OPRK1 P41145 3/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
LMNA P02545 2/20 0.38
CYP2D6 P10635 1/20 0.37
KCNH2 Q12809 3/20 0.37
HSD11B1 P28845 1/20 0.37
MEN1 O00255 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
S1PR1 P21453 1/20 0.37
S1PR5 Q9H228 1/20 0.37
AMPD2 Q01433 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL11099774 0.72 GRM6 (0.40) KMT2AGRM6OPRK1LMNACYP2D6
SCHEMBL2841486 0.72 CHRM2 (0.49) KMT2AL3MBTL1OPRK1CHRM2CHRM4
SCHEMBL4477292 0.72 CHRM2 (0.49) KMT2AL3MBTL1OPRK1CHRM2CHRM4
SCHEMBL2841484 0.72 CHRM2 (0.49) KMT2AL3MBTL1OPRK1CHRM2CHRM4
SCHEMBL23229353 0.71 CHRM2 (0.51) KMT2AL3MBTL1OPRK1CHRM2CHRM4
SCHEMBL21631545 0.71 OPRK1 (0.46) NR1H2KMT2AL3MBTL1USP2OPRK1
SCHEMBL21631548 0.71 OPRK1 (0.46) NR1H2KMT2AL3MBTL1USP2OPRK1
SCHEMBL11545110 0.71 CHRM2 (0.47) KMT2AL3MBTL1OPRK1CHRM2CHRM4
SCHEMBL11545113 0.71 CHRM2 (0.47) KMT2AL3MBTL1OPRK1CHRM2CHRM4
SCHEMBL21653769 0.70 KMT2A (0.46) NR1H2KMT2AL3MBTL1USP2OPRK1

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-10344019-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2019-07-09 US disclosed
US-20150353529-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2015-12-10 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-10344019-B2 Antiviral compounds MAVS, EIF2AK2, ZC3HAV1 NR1H2 2557/4885KMT2A 3803/4885L3MBTL1 2200/4885
US-20150353529-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 NR1H2 2557/4885KMT2A 3803/4885L3MBTL1 2200/4885

“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.