SCHEMBL7346010

SCHEMBL7346010

COc1ccc(C[C@H](N)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.53
SLC6A4 P31645 1/20 0.51
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
TPH1 P17752 2/20 0.46
DPP4 P27487 2/20 0.45
FAP Q12884 2/20 0.45
DPP8 Q6V1X1 2/20 0.45
DPP9 Q86TI2 2/20 0.45
DPP7 Q9UHL4 2/20 0.45
ACACB O00763 1/20 0.44
POLB P06746 1/20 0.43
PTPN1 P18031 1/20 0.43
LTA4H P09960 1/20 0.43
SLC7A5 Q01650 1/20 0.43
ANPEP P15144 1/20 0.43
ERAP2 Q6P179 1/20 0.43
PPARG P37231 1/20 0.42
PPARA Q07869 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
SCHEMBL7518497 1.00 LDHA (0.53) LDHASLC6A4CYP1A2CYP2D6CYP2C19
SCHEMBL106531 1.00 LDHA (0.53) LDHASLC6A4CYP1A2CYP2D6CYP2C19
SCHEMBL8143842 0.89 SLC6A4 (0.50) LDHASLC6A4CYP1A2CYP2D6CYP2C19
SCHEMBL7317870 0.89 SLC6A4 (0.50) LDHASLC6A4CYP1A2CYP2D6CYP2C19
SCHEMBL3729750 0.88 ACACB (0.50) LDHACYP1A2CYP2D6CYP2C19ACACB
SCHEMBL2311151 0.88 ACACB (0.50) LDHACYP1A2CYP2D6CYP2C19ACACB
SCHEMBL2311154 0.88 ACACB (0.50) LDHACYP1A2CYP2D6CYP2C19ACACB
SCHEMBL16080173 0.88 ACACB (0.50) LDHACYP1A2CYP2D6CYP2C19ACACB
Hydrochloric Acid SCHEMBL29398263 0.87 ACACB (0.49) LDHACYP1A2CYP2D6CYP2C19TPH1
Hydrochloric Acid SCHEMBL3745279 0.87 ACACB (0.49) LDHACYP1A2CYP2D6CYP2C19TPH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11643393-B2 Integrin antagonists THE GENERAL HOSPITAL CORPORATION (US) 2023-05-09 US disclosed
US-20220081398-A1 Integrin Antagonists THE GENERAL HOSPITAL CORPORATION 2022-03-17 US disclosed
US-9649373-B2 Neoseptins: small molecule adjuvants THE SCRIPPS INSTITUTE (US) 2017-05-16 US disclosed
US-9649373-B2 Neoseptins: small molecule adjuvants THE SCRIPPS INSTITUTE (US) 2017-05-16 US disclosed
US-20160000907-A1 NEOSEPTINS: SMALL MOLECULE ADJUVANTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-01-07 US disclosed
US-20160000907-A1 NEOSEPTINS: SMALL MOLECULE ADJUVANTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-01-07 US disclosed
EP-2258400-A2 Multivalent VLA-4 antagonists comprising polymer moieties ELAN PHARMACEUTICALS, INC. (US) 2010-12-08 EP disclosed
US-6423689-B1 Peptidyl calcium channel blockers WARNER-LAMBERT COMPANY 2002-07-23 US disclosed
EP-0594588-A1 CYCLOALKYL-SUBSTITUTED GLUTARAMIDE ANTIHYPERTENSIVE AGENTS Pfizer Limited (GB) 1994-05-04 EP disclosed
WO-1991013054-A1 CYCLOALKYL-SUBSTITUTED GLUTARAMIDE ANTIHYPERTENSIVE AGENTS PFIZER LIMITED (GB) 1991-09-05 WO disclosed
EP-0159396-B1 CARBOXYALKYL PEPTIDE DERIVATIVES G.D. Searle & Co. (US) 1990-06-27 EP disclosed
EP-0185380-B1 THIOL BASED COLLAGENASE INHIBITORS G.D. Searle & Co. (US) 1990-04-11 EP disclosed
US-4681966-A ANTIARTHRITIC AGENTS G. D. SEARLE & CO. (US) 1987-07-21 US disclosed
EP-0185380-A2 Thiol based collagenase inhibitors G.D. Searle & Co. (US) 1986-06-25 EP disclosed
US-4595700-A Thiol based collagenase inhibitors G. D. SEARLE & CO. (US) 1986-06-17 US disclosed
US-4568666-A COLLAGENASE INHIBITORS, ANTIARTJRITIC AGENTS G. D. SEARLE & CO. (US) 1986-02-04 US disclosed
EP-0159396-A2 Carboxyalkyl peptide derivatives G.D. Searle & Co. (US) 1985-10-30 EP 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-20220081398-A1 Integrin Antagonists ITGA2B, ITGA2, ITGB2 LDHA 3997/4885SLC6A4 4570/4885CYP1A2 4735/4885
US-20160000907-A1 NEOSEPTINS: SMALL MOLECULE ADJUVANTS TLR2, TLR4, TLR1 LDHA 2536/4885SLC6A4 3863/4885CYP1A2 3337/4885
US-11643393-B2 Integrin antagonists ITGA2B, ITGA2, ITGB2 LDHA 3997/4885SLC6A4 4570/4885CYP1A2 4735/4885

“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.