SCHEMBL252870

SCHEMBL252870

CC(C)(C)OC(=O)N1C[C@@H](Oc2ccccc2)C[C@H]1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 14/20 0.51
USP30 Q70CQ3 1/20 0.48
UCHL1 P09936 1/20 0.46
HTRA1 Q92743 1/20 0.42
P2RX3 P56373 1/20 0.42

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
SCHEMBL9544995 1.00 MCL1 (0.51) MCL1USP30UCHL1HTRA1P2RX3
SCHEMBL192535 1.00 MCL1 (0.51) MCL1USP30UCHL1HTRA1P2RX3
SCHEMBL29015574 1.00 MCL1 (0.51) MCL1USP30UCHL1HTRA1P2RX3
SCHEMBL6842708 1.00 MCL1 (0.51) MCL1USP30UCHL1HTRA1P2RX3
SCHEMBL192536 1.00 MCL1 (0.51) MCL1USP30UCHL1HTRA1P2RX3
SCHEMBL23452261 1.00 MCL1 (0.51) MCL1USP30UCHL1HTRA1P2RX3
SCHEMBL7462140 0.90 MCL1 (0.53) MCL1P2RX3
SCHEMBL27190373 0.90 MCL1 (0.53) MCL1P2RX3
SCHEMBL27190288 0.90 MCL1 (0.53) MCL1P2RX3
SCHEMBL7722150 0.90 MCL1 (0.50) MCL1UCHL1

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 57 patents — showing the first 20. 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-10752611-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2020-08-25 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-10017499-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2018-07-10 US disclosed
EP-3110810-B1 PYRAZOLE AMIDE DERIVATIVE TEIJIN PHARMA LTD (JP) 2018-05-02 EP disclosed
US-9944619-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2018-04-17 US disclosed
US-9920075-B2 Triazolopyridine and triazolopyrimidine inhibitors of myeloperoxidase BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-20 US disclosed
US-9765087-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2017-09-19 US disclosed
US-6770741-B1 USEFUL IN TREATING CONDITIONS AND DISEASES OF A MAMMAL AND HUMAN IN WHICH AN EXCESS OF BRADYKININ OR RELATED KININS ARE PRODUCED OR INJECTED SUCH AS BY INSECT BITES SCIOS INC. 2004-08-03 US disclosed
US-6756378-B2 BENZYL -UREA, -THIOUREA, OR -GUANIDINE DERIVATIVES THAT INHIBIT THE BINDING OF LIGANDS TO ALPHA 4 BETA 1 INTEGRIN (VLA-4) PHARMACOPEIA DRUG DISCOVERY, INC. 2004-06-29 US disclosed
US-20040110945-A1 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-10 US disclosed
EP-1346982-A1 VLA-4 INHIBITORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-09-24 EP disclosed
US-20030078249-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-04-24 US disclosed
EP-1189612-A1 VLA-4 INHIBITOR COMPOUNDS Daiichi Pharmaceutical Co., Ltd. (JP) 2002-03-27 EP disclosed
EP-0618810-B1 BRADYKININ ANTAGONIST PEPTIDES SCIOS NOVA INC (US) 2001-07-04 EP disclosed
WO-2001000206-A1 VLA-4 INHIBITOR COMPOUNDS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-01-04 WO disclosed
US-5385889-A Substitution of L-proline at the 7-position of the peptide hormone with a D-configuration hydroxyproline ether or thioether converts agonist into antagonist SCIOS NOVA INC. (US) 1995-01-31 US disclosed
WO-1992018156-A1 BRADYKININ ANTAGONIST PEPTIDES NOVA TECHNOLOGY LIMITED PARTNERSHIP (US) 1992-10-29 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 (8 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 MCL1 1889/4885USP30 4492/4885UCHL1 4606/4885
US-20030078249-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGA4 MCL1 340/4885USP30 4522/4885UCHL1 3675/4885
US-20180194746-A1 Compounds For the Treatment of HIV CCR5, NPC1, FURIN MCL1 1889/4885USP30 4492/4885UCHL1 4606/4885
US-10017499-B2 Benzimidazole derivatives EIF2AK2, ZC3HAV1, ZC3HAV1L MCL1 1529/4885USP30 2603/4885UCHL1 1669/4885
US-20040110945-A1 Vla-4 inhibitors VCAM1, ITGA1, ITGB4 MCL1 1983/4885USP30 4692/4885UCHL1 4141/4885
US-11034668-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN MCL1 1889/4885USP30 4492/4885UCHL1 4606/4885
US-10752611-B2 Benzimidazole derivatives EIF2AK2, ZC3HAV1, ZC3HAV1L MCL1 1529/4885USP30 2603/4885UCHL1 1669/4885
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN MCL1 1889/4885USP30 4492/4885UCHL1 4606/4885

“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.