SCHEMBL15723968

SCHEMBL15723968

COc1ccc2cc(-c3cccnc3C(C)C)ccc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 10/20 0.54
CYP17A1 P05093 2/20 0.54
RAB9A P51151 4/20 0.53
CYP11B1 P15538 9/20 0.52
CYP19A1 P11511 1/20 0.52
CYP1A2 P05177 4/20 0.52
CYP3A4 P08684 3/20 0.52
CYP2C9 P11712 3/20 0.52
CYP2D6 P10635 2/20 0.52
CYP2C19 P33261 2/20 0.52
GSTP1 P09211 1/20 0.51
CYP2B6 P20813 1/20 0.48
PTGS2 P35354 1/20 0.48
CYP2A6 P11509 1/20 0.47
TEK Q02763 1/20 0.46
HSD17B1 P14061 1/20 0.46
HSD17B2 P37059 1/20 0.46
NPC1 O15118 3/20 0.46
CASP3 P42574 1/20 0.44
SENP7 Q9BQF6 1/20 0.44

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
SCHEMBL15723893 0.86 CLK4 (0.55) RAB9ACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL15723965 0.86 GSTP1 (0.47) CYP11B2CYP17A1RAB9ACYP11B1CYP19A1
SCHEMBL15730178 0.82 CYP11B2 (0.56) CYP11B2CYP17A1RAB9ACYP11B1CYP19A1
SCHEMBL624353 0.81 CYP11B2 (0.57) CYP11B2CYP17A1RAB9ACYP11B1CYP19A1
SCHEMBL18852464 0.78 RAB9A (0.43) CYP11B2RAB9ACYP11B1CYP1A2CYP3A4
SCHEMBL15723922 0.78 PIK3CD (0.50) CYP11B2CYP17A1CYP11B1CYP19A1CYP1A2
SCHEMBL25502013 0.77 PTGS2 (0.71) CYP11B2CYP17A1RAB9ACYP11B1CYP19A1
SCHEMBL15723912 0.77 ALDH1A1 (0.50) RAB9ACYP1A2CYP2C19NPC1
SCHEMBL15723963 0.77 RAB9A (0.62) RAB9ACYP1A2CYP3A4CYP2C19NPC1
SCHEMBL15723903 0.75 TGFBR1 (0.44) RAB9ACYP1A2NPC1FFAR4

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-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2023-01-12 US disclosed
US-11034668-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2021-06-15 US disclosed
US-10370358-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2019-08-06 US disclosed
US-20180194746-A1 Compounds For the Treatment of HIV GILEAD SCIENCES, INC. 2018-07-12 US disclosed
US-20180194746-A1 Compounds For the Treatment of HIV GILEAD SCIENCES, INC. 2018-07-12 US disclosed
US-9944619-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2018-04-17 US disclosed
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2017-05-18 US disclosed
US-9540343-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2017-01-10 US disclosed
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2014-05-22 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 (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-10370358-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN CYP11B2 50/4885CYP17A1 77/4885RAB9A 357/4885
US-20180194746-A1 Compounds For the Treatment of HIV CCR5, NPC1, FURIN CYP11B2 50/4885CYP17A1 77/4885RAB9A 357/4885
US-11034668-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN CYP11B2 50/4885CYP17A1 77/4885RAB9A 357/4885
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN CYP11B2 50/4885CYP17A1 77/4885RAB9A 357/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN CYP11B2 50/4885CYP17A1 77/4885RAB9A 357/4885
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN CYP11B2 50/4885CYP17A1 77/4885RAB9A 357/4885

“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.