SCHEMBL12459166

SCHEMBL12459166

CC(C)(C)c1ccc2c(c1)C(=O)NC21CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 1/20 0.41
PLA2G1B P04054 1/20 0.41
NFKB1 P19838 1/20 0.41
CASP3 P42574 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
CYP19A1 P11511 1/20 0.36
NEK2 P51955 1/20 0.35
NR1H3 Q13133 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL19251530 0.81 CNR2 (0.41) NPC1CASP3RAB9ASENP8SENP7
SCHEMBL11916095 0.80 MGAT2 (0.43) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL8221967 0.80 PARP10 (0.46) ALDH1A1CYP1A2CYP2C19PARP1PARP10
SCHEMBL23271199 0.76 TDP2 (0.42) ALDH1A1NFKB1NFKB2RELAL3MBTL1
SCHEMBL29683177 0.76 TDP2 (0.42) ALDH1A1NFKB1NFKB2RELAL3MBTL1
SCHEMBL30900443 0.75 TGM2 (0.49) ALDH1A1L3MBTL1MEN1KMT2APARP1
SCHEMBL30095473 0.75 CA9 (0.39) ALDH1A1NPC1PLA2G1BRAB9AATG4B
SCHEMBL16006554 0.75 PBRM1 (0.42) ALDH1A1TDP2CA1CA9
SCHEMBL22898415 0.75 CA9 (0.39) ALDH1A1NPC1PLA2G1BRAB9AATG4B
SCHEMBL29226241 0.75 TGM2 (0.49) ALDH1A1L3MBTL1MEN1KMT2APARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11680064-B2 Capsid inhibitors for the treatment of HIV GILEAD SCIENCES, INC. (US) 2023-06-20 US disclosed
US-20230038823-A1 CAPSID INHIBITORS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2023-02-09 US disclosed
US-20210009555-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2021-01-14 US disclosed
US-10865216-B2 Tricyclic Gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2020-12-15 US disclosed
US-10858360-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2020-12-08 US disclosed
US-10017501-B2 Benzimidazole derivatives as bromodomain inhibitors GILEAD SCIENCES, INC. (US) 2018-07-10 US disclosed
US-10017501-B2 Benzimidazole derivatives as bromodomain inhibitors GILEAD SCIENCES, INC. (US) 2018-07-10 US disclosed
US-9951043-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2018-04-24 US disclosed
US-9951043-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2018-04-24 US disclosed
US-9873680-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2018-01-23 US disclosed
US-20170369498-A1 TRICYCLIC GYRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-12-28 US disclosed
US-9732083-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-15 US disclosed
US-9732083-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-15 US disclosed
US-20160376261-A1 BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS GILEAD SCIENCES, INC. 2016-12-29 US disclosed
US-20160108030-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-04-21 US disclosed
US-20150246934-A1 TRICYCLIC GYRASE INHIBITORS MERCK SHARP & DOHME LLC 2015-09-03 US disclosed
US-20140303164-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2014-10-09 US disclosed
US-20120238751-A1 TRICYCLIC GYRASE INHIBITORS TRIUS THERAPEUTICS, INC. (US) 2012-09-20 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 (12 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-20210009555-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, RPL35 ALDH1A1 351/4885NPC1 8/4885PLA2G1B 3930/4885
US-20230038823-A1 CAPSID INHIBITORS FOR THE TREATMENT OF HIV HAVCR2, MAVS, CD4 ALDH1A1 3650/4885NPC1 50/4885PLA2G1B 4224/4885
US-20120238751-A1 TRICYCLIC GYRASE INHIBITORS TOP1, TOP2A, TOP2B ALDH1A1 1898/4885NPC1 1885/4885PLA2G1B 3612/4885
US-20160108030-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, RPL35 ALDH1A1 351/4885NPC1 8/4885PLA2G1B 3930/4885
US-20150246934-A1 TRICYCLIC GYRASE INHIBITORS TOP1, TOP2A, TOP2B ALDH1A1 1726/4885NPC1 1992/4885PLA2G1B 3501/4885
US-10858360-B2 Tricyclic gyrase inhibitors TOP1, TOP2A, TOP2B ALDH1A1 1898/4885NPC1 1885/4885PLA2G1B 3612/4885
US-20170369498-A1 TRICYCLIC GYRASE INHIBITORS TOP1, TOP2A, TOP2B ALDH1A1 1898/4885NPC1 1885/4885PLA2G1B 3612/4885
US-20140303164-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, G6PD ALDH1A1 372/4885NPC1 9/4885PLA2G1B 3657/4885
US-10017501-B2 Benzimidazole derivatives as bromodomain inhibitors BRD4, BRD3, BRD1 ALDH1A1 3633/4885NPC1 3050/4885PLA2G1B 3635/4885
US-20160376261-A1 BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 ALDH1A1 3633/4885NPC1 3050/4885PLA2G1B 3635/4885
US-11680064-B2 Capsid inhibitors for the treatment of HIV HAVCR2, MAVS, CD4 ALDH1A1 3650/4885NPC1 50/4885PLA2G1B 4224/4885
US-10865216-B2 Tricyclic Gyrase inhibitors TOP1, TOP2A, TOP2B ALDH1A1 1726/4885NPC1 1992/4885PLA2G1B 3501/4885

“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.