SCHEMBL7361094

SCHEMBL7361094

CC(=O)O[C@H](C)C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM1 P11229 1/20 0.34
TBXA2R P21731 1/20 0.34
GALR3 O60755 1/20 0.33
MAPT P10636 1/20 0.33
BLM P54132 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA12 O43570 1/20 0.33
CA14 Q9ULX7 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
DGAT1 O75907 1/20 0.32
GAA P10253 1/20 0.32
NOS1 P29475 2/20 0.32

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
SCHEMBL18206813 1.00 TSHR (0.44) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL7361092 1.00 TSHR (0.44) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL13647345 0.96 TSHR (0.41) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL18206330 0.83 ALOX15 (0.37) TSHRSMN1; SMN2LMNA
SCHEMBL18206329 0.83 ALOX15 (0.37) TSHRSMN1; SMN2LMNA
SCHEMBL23397693 0.82 TSHR (0.33) TSHR
SCHEMBL18206913 0.82 TSHR (0.33) TSHR
SCHEMBL18219224 0.82 TSHR (0.33) TSHR
SCHEMBL18206911 0.82 TSHR (0.33) TSHR
SCHEMBL18206904 0.82 MMP1 (0.33) TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170151232-A1 METHODS AND COMPOSITIONS FOR PREVENTING OPIOID ABUSE CURIA BUFFALO R&D, LLC 2017-06-01 US disclosed
US-5015641-A Dipeptide for vision defects ANDREWS DAVID R (US) 1991-05-14 US disclosed
US-4885293-A CARBOXYALKYL DIPEPTIDES SCHERING CORPORATION (US) 1989-12-05 US disclosed
EP-0195817-B1 CARBOXYALKYLDIPEPTIDES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SCHERING CORPORATION (US) 1989-10-18 EP disclosed
US-4840772-A KIT WITH CONTAINERS OF AGENT TO REDUCE INTRAOCULAR PRESSURE AND ANTIINFLAMMATORY STEROID OR BETA-BLOCKER SCHERING CORPORATION (US) 1989-06-20 US disclosed
US-4826816-A Antihypertensive compounds SCHERING CORPORATION (US) 1989-05-02 US disclosed
US-4783444-A SUBSTITUTED DIPEPTIDES SCHERING CORPORATION (US) 1988-11-08 US disclosed
EP-0236307-A1 ANTIHYPERTENSIVE AGENTS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESSES FOR THE PREPARATION OF THE AGENTS AND COMPOSITIONS. SCHERING CORP (US) 1987-09-16 EP disclosed
US-4691049-A Process for preparing a specific diastereomer of a monoamino dicarboxylic acid ester SCHERING CORPORATION (US) 1987-09-01 US disclosed
WO-1987001707-A1 ANTIHYPERTENSIVE AGENTS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESSES FOR THE PREPARATION OF THE AGENTS AND COMPOSITIONS SCHERING CORPORATION (US) 1987-03-26 WO disclosed
US-4634698-A TOPICAL HYPOTENSIVES SCHERING CORPORATION (US) 1987-01-06 US disclosed
EP-0195817-A1 CARBOXYALKYLDIPEPTIDES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM. SCHERING CORP (US) 1986-10-01 EP disclosed
US-4584285-A Antihypertensive agents SCHERING CORPORATION (US) 1986-04-22 US disclosed
WO-1986001803-A1 CARBOXYALKYLDIPEPTIDES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SCHERING CORPORATION (US) 1986-03-27 WO disclosed
US-4556655-A TREATMENT OF CARDIOVASCULAR DISORDERS AND GLAUCOMA SCHERING CORPORATION (US) 1985-12-03 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 (1 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-20170151232-A1 METHODS AND COMPOSITIONS FOR PREVENTING OPIOID ABUSE OPRM1, OPRK1, OPRD1 TSHR 4761/4885CHRM2 367/4885CHRM4 242/4885

“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.