Sugi Predict

Sugi Predict / Compounds / SCHEMBL11933658

SCHEMBL11933658

SCHEMBL11933658

Cc1cc(F)ccc1CNC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 3/20 0.48
▸ KDM4A O75164 1/20 0.44
▸ GRM2 Q14416 1/20 0.43
▸ RPS6KA1 Q15418 1/20 0.42
▸ EPHX2 P34913 2/20 0.42
▸ MMP1 P03956 2/20 0.41
▸ BRD4 O60885 1/20 0.41
▸ KCNA5 P22460 1/20 0.40
▸ CTSS P25774 2/20 0.39
▸ CTSK P43235 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ IDO1 P14902 1/20 0.39

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
SCHEMBL1654680 0.87 KDM4A (0.45) KDM4AGRM2RPS6KA1KCNA5CTSS
SCHEMBL12791296 0.87 P2RX7 (0.46) P2RX7KDM4AGRM2RPS6KA1EPHX2
SCHEMBL15171404 0.85 NPC1 (0.52) P2RX7KDM4AEPHX2KCNA5ALDH1A1
SCHEMBL2528259 0.84 KDM4A (0.43) KDM4AGRM2RPS6KA1EPHX2BRD4
SCHEMBL27669311 0.84 GRM2 (0.47) KDM4AGRM2RPS6KA1BRD4KCNA5
SCHEMBL23105674 0.84 P2RX7 (0.48) P2RX7KDM4AGRM2RPS6KA1EPHX2
SCHEMBL29726461 0.84 GRM2 (0.44) KDM4AGRM2RPS6KA1EPHX2BRD4
SCHEMBL25367052 0.84 KDM4A (0.41) P2RX7KDM4AGRM2RPS6KA1BRD4
SCHEMBL1654700 0.83 KDM4A (0.42) KDM4AGRM2RPS6KA1EPHX2BRD4
SCHEMBL4763233 0.83 GRM2 (0.48) KDM4AGRM2RPS6KA1BRD4KCNA5

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2588455-B1 2-QUINOLINYL-ACETIC ACID DERIVATIVES AS HIV ANTIVIRAL COMPOUNDS GILEAD SCIENCES INC (US) 2018-04-04 — — EP disclosed
EP-3070081-B1 BENZOTHIAZOL-6-YL ACETIC ACID DERIVATIVES AND THEIR USE FOR TREATING AN HIV INFECTION GILEAD SCIENCES INC (US) 2018-02-28 — — EP disclosed
US-9879023-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2018-01-30 — — US disclosed
EP-3181555-A1 BENZOTHIAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USE Gilead Sciences, Inc. (US) 2017-06-21 — — EP disclosed
US-20170088554-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2017-03-30 — — US disclosed
EP-2699558-B1 BENZOTHIAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USE GILEAD SCIENCES INC (US) 2016-11-23 — — EP disclosed
US-9464096-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2016-10-11 — — US disclosed
EP-3070081-A1 BENZOTHIAZOL-6-YL ACETIC ACID DERIVATIVES AND THEIR USE FOR TREATING AN HIV INFECTION Gilead Sciences, Inc. (US) 2016-09-21 — — EP disclosed
US-20160152582-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-06-02 — — US disclosed
US-9296758-B2 2-quinolinyl-acetic acid derivatives as HIV antiviral compounds GILEAD SCIENCES, INC. (US) 2016-03-29 — — US disclosed
US-20130281434-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-10-24 — — US disclosed
US-20130281433-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2013-10-24 — — US disclosed
US-20130210801-A1 2-QUINOLINYL-ACETIC ACID DERIVATIVES AS HIV ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-08-15 — — US disclosed
US-8501754-B2 Quinazolinamide derivatives MERCK PATENT GMBH (DE) 2013-08-06 — — US disclosed
US-8497270-B2 Macrocyclic integrase inhibitors ELANCO ANIMAL HEALTH IRELAND LIMITED (US) 2013-07-30 — — US disclosed
US-20120172367-A1 MACROCYCLIC INTEGRASE INHIBITORS ELANCO ANIMAL HEALTH IRELAND LIMITED (US) 2012-07-05 — — US disclosed
US-20100234324-A1 Quinazolinamide derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-16 — — US disclosed
WO-2007064619-A1 PYRIMIDINE DERIVATIVES AS HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-07 — — WO disclosed
WO-2007064316-A1 BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-07 — — WO disclosed
WO-2007061714-A1 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 — — WO 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 (7 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-20170088554-A1 THERAPEUTIC COMPOUNDS FURIN, NFATC1, NPC1 P2RX7 4641/4885KDM4A 3606/4885GRM2 4552/4885
US-20120172367-A1 MACROCYCLIC INTEGRASE INHIBITORS CCNI, CCNY, CDK7 P2RX7 2029/4885KDM4A 774/4885GRM2 4717/4885
US-20130281434-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, CD4 P2RX7 4790/4885KDM4A 4609/4885GRM2 3958/4885
US-20130281433-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 P2RX7 3080/4885KDM4A 4560/4885GRM2 3447/4885
US-20160152582-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, CD4 P2RX7 4790/4885KDM4A 4609/4885GRM2 3958/4885
US-20100234324-A1 Quinazolinamide derivatives HSP90AB1, HSP90AA1, HSP90AB2P P2RX7 2602/4885KDM4A 3936/4885GRM2 1970/4885
US-20130210801-A1 2-QUINOLINYL-ACETIC ACID DERIVATIVES AS HIV ANTIVIRAL COMPOUNDS NFATC1, ACIN1, ARF1 P2RX7 3824/4885KDM4A 2748/4885GRM2 3264/4885

“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.