SCHEMBL9980354

SCHEMBL9980354

CCC1CCC(c2ncc(-c3ccc(Br)cc3)[nH]2)N1C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 3/20 0.44
PRCP P42785 6/20 0.40
CYP3A4 P08684 3/20 0.39
CYP2C9 P11712 3/20 0.39
KCNH2 Q12809 2/20 0.39
KCNK3 O14649 1/20 0.39
KCNK9 Q9NPC2 1/20 0.39
BCL2 P10415 1/20 0.39
BECN1 Q14457 1/20 0.39
NR1I2 O75469 1/20 0.39
ABCB11 O95342 1/20 0.39
OPRK1 P41145 1/20 0.39
SSTR3 P32745 1/20 0.39
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 1/20 0.37
CETP P11597 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
SCHEMBL15368521 1.00 HPGDS (0.44) HPGDSPRCPCYP3A4CYP2C9KCNH2
SCHEMBL883169 0.88 HPGDS (0.46) HPGDSPRCPCYP3A4CYP2C9KCNH2
SCHEMBL6126830 0.88 HPGDS (0.46) HPGDSPRCPCYP3A4CYP2C9KCNH2
SCHEMBL13180571 0.86 HPGDS (0.41) HPGDSPRCPCYP3A4CYP2C9KCNH2
SCHEMBL12682723 0.86 HPGDS (0.41) HPGDSPRCPCYP3A4CYP2C9KCNH2
SCHEMBL12174962 0.85 HPGDS (0.50) HPGDSPRCPKCNK3KCNK9BCL2
SCHEMBL14985758 0.84 USP30 (0.42) HPGDSPRCPCYP3A4CYP2C9KCNH2
SCHEMBL2757200 0.84 USP30 (0.42) HPGDSPRCPCYP3A4CYP2C9KCNH2
SCHEMBL10236927 0.82 HPGDS (0.43) HPGDSPRCPCYP3A4CYP2C9KCNH2
SCHEMBL14929968 0.82 HPGDS (0.43) HPGDSPRCPCYP3A4CYP2C9KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120264711-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-10-18 US disclosed
US-20120157404-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-06-21 US disclosed
US-8088368-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
US-20100310512-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2010-12-09 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 (3 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-20120264711-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 HPGDS 2361/4885PRCP 599/4885CYP3A4 1770/4885
US-20120157404-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 HPGDS 2361/4885PRCP 599/4885CYP3A4 1770/4885
US-20100310512-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 HPGDS 2361/4885PRCP 599/4885CYP3A4 1770/4885

“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.