SCHEMBL9977370

SCHEMBL9977370

CC(C)(C)OC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)OCC(=O)c1ccc2c(c1)oc1cc(C(=O)COC(=O)C3CCCC3)ccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PREP P48147 4/20 0.43
ALDH1A1 P00352 4/20 0.39
TSHR P16473 1/20 0.39
MDM2 Q00987 1/20 0.39
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
PDE4A P27815 2/20 0.35
PDE4B Q07343 2/20 0.35
PDE4C Q08493 2/20 0.35
PDE4D Q08499 2/20 0.35
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL2706740 0.88 MEN1 (0.42) PREPALDH1A1TSHRNPC1PDE4A
SCHEMBL204088 0.88 MEN1 (0.42) PREPALDH1A1TSHRNPC1PDE4A
SCHEMBL19339655 0.87 PREP (0.37) PREPALDH1A1RAB9ANPC1PDE4A
SCHEMBL9977159 0.86 PREP (0.42) PREPALDH1A1TSHRMDM2RAB9A
SCHEMBL15368133 0.86 PREP (0.42) PREPALDH1A1TSHRMDM2RAB9A
SCHEMBL17066298 0.81 PREP (0.50) PREPALDH1A1TSHRMDM2RAB9A
SCHEMBL14982455 0.79 ALDH1A1 (0.47) ALDH1A1TSHRMDM2RAB9ANPC1
SCHEMBL9977356 0.79 ALDH1A1 (0.47) ALDH1A1TSHRMDM2RAB9ANPC1
SCHEMBL12437622 0.79 PREP (0.48) PREPALDH1A1TSHRRAB9ANPC1
SCHEMBL15348426 0.79 PREP (0.48) PREPALDH1A1TSHRRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170029408-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2017-02-02 US disclosed
US-9511056-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2016-12-06 US disclosed
US-8841278-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2014-09-23 US disclosed
US-20140249074-A1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2014-09-04 US disclosed
US-8822430-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2014-09-02 US disclosed
US-20140051656-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-20 US disclosed
US-20140039021-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-06 US disclosed
US-20130137877-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-05-30 US disclosed
US-20120157404-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-06-21 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 (6 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-20140051656-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 PREP 440/4885ALDH1A1 3957/4885TSHR 4853/4885
US-20170029408-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 PREP 440/4885ALDH1A1 3957/4885TSHR 4853/4885
US-20130137877-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 PREP 440/4885ALDH1A1 3957/4885TSHR 4853/4885
US-20120157404-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 PREP 440/4885ALDH1A1 3957/4885TSHR 4853/4885
US-20140039021-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 PREP 440/4885ALDH1A1 3957/4885TSHR 4853/4885
US-20140249074-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 PREP 440/4885ALDH1A1 3957/4885TSHR 4853/4885

“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.