SCHEMBL642839

SCHEMBL642839

C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
MLYCD O95822 1/20 0.39
PRSS1 P07477 1/20 0.38
CTSG P08311 1/20 0.38
CTRB1 P17538 1/20 0.38
CMA1 P23946 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP2C19 P33261 2/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL9382586 1.00 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1LMNATP53MLYCD
SCHEMBL1313198 0.91 CYP1A2 (0.42) CYP2C19CYP1A2CYP2C9MMP13
SCHEMBL7447969 0.91 CYP1A2 (0.42) CYP2C19CYP1A2CYP2C9MMP13
Cysteine SCHEMBL29016388 0.87 SLC7A5 (0.42) SMN1; SMN2ALDH1A1LMNATP53PRSS1
SCHEMBL8364820 0.86 MT-CO2 (0.45) SMN1; SMN2LMNATSHRTDP1MEN1
SCHEMBL1208677 0.86 SMN1; SMN2 (0.37) SMN1; SMN2ALDH1A1LMNAPRSS1CTSG
SCHEMBL10521312 0.86 NR1H2 (0.34) ALDH1A1LMNATP53PRSS1CTSG
SCHEMBL2276227 0.86 MT-CO2 (0.45) SMN1; SMN2LMNATSHRTDP1MEN1
SCHEMBL3362092 0.86 F2 (0.38) ALDH1A1LMNAKMT2A
SCHEMBL5846260 0.86 KMT2A (0.40) LMNAMEN1KMT2ANPSR1MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4705289-A1 PRODRUGS OF XANOMELINE, PRODRUGS OF TROSPIUM AND METHODS OF USE THEREOF Terran Biosciences Inc. (US) 2026-03-11 EP disclosed
WO-2024226691-A1 PRODRUGS OF XANOMELINE, PRODRUGS OF TROSPIUM AND METHODS OF USE THEREOF TERRAN BIOSCIENCES INC. (US) 2024-10-31 WO disclosed
US-10322103-B2 Compositions for prevention/prophylactic treatment of poison ivy dermatitis UNIVERSITY OF MISSISSIPPI (US) 2019-06-18 US disclosed
US-20180078520-A1 COMPOSITIONS FOR PREVENTION/PROPHYLACTIC TREATMENT OF POISON IVY DERMATITIS UNIVERSITY OF MISSISSIPPI 2018-03-22 US disclosed
US-9408822-B2 Compositions for prevention/prophylactic treatment of poison ivy dermatitis THE UNIVERSITY OF MISSISSIPPI (US) 2016-08-09 US disclosed
US-20150202176-A1 Compositions for Prevention/Prophylactic Treatment of Poison Ivy Dermatitis THE UNIVERSITY OF MISSISSIPPI 2015-07-23 US disclosed
US-9029417-B2 Compositions for prevention/prophylactic treatment of poison ivy dermatitis THE UNIVERSITY OF MISSISSIPPI (US) 2015-05-12 US disclosed
US-8853204-B2 Pharmaceutical composition comprising a benzodiazepine derivative and an inhibitor of the RSV fusion protein ARROW THERAPEUTICS LIMITED (GB) 2014-10-07 US disclosed
EP-2707363-A1 A PROCESS FOR THE PREPARATION OF BENZYL [(3AS,4R,6S,6AR)-6-HYDROXY-2,2- DIMETHYLTETRAHYDRO-3AH-CYCLOPENTA[D][1,3]DIOXOL]-4-YL]CARBAMATE AND INTERMEDIATES IN THE PROCESS AstraZeneca AB (SE) 2014-03-19 EP disclosed
US-20130303582-A1 COMPOSITIONS FOR PREVENTION/PROPHYLACTIC TREATMENT OF POISON IVY DERMATITIS THE UNIVERSITY OF MISSISSIPPI 2013-11-14 US disclosed
EP-0346208-A1 4-Amino quinolines and naphthyridines, process for their preparation and their use as medicaments ELF SANOFI (FR) 1989-12-13 EP disclosed
US-4847248-A 1,4-Benzodiazepines with 5- and 6-membered heterocyclic rings and their use as cholecystokinins and gastrin antagonists MERCK & CO., INC. (US) 1989-07-11 US disclosed
EP-0135379-B1 BASIC HEXA- AND HEPTA-PEPTIDE VASOPRESSIN ANTAGONISTS SMITHKLINE BECKMAN CORPORATION (US) 1988-04-20 EP disclosed
US-4735941-A 1,4-benzodiazepines with 5- and 6-membered heterocyclic rings, useful as gastrointestinal and CNS agents MERCK & CO., INC. (US) 1988-04-05 US disclosed
US-4543349-A Basic heptapeptide vasopressin antagonists SMITHKLINE BECKMAN CORPORATION (US) 1985-09-24 US disclosed
EP-0135379-A2 Basic hexa- and hepta-peptide vasopressin antagonists SMITHKLINE BECKMAN CORPORATION (US) 1985-03-27 EP disclosed
EP-0041286-B1 LH-RH ANTAGONISTS Schally, Andrew Victor (US) 1984-08-15 EP disclosed
US-4371463-A Enzyme-resistant opiate pentapeptides THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1983-02-01 US disclosed
US-4071622-A Treatment of a mammary or DMBA inducible tumor ABBOTT LABORATORIES (US) 1978-01-31 US disclosed
US-4034082-A Method to prevent reproduction in warm-blooded female animals with nonapeptides ABBOTT LABORATORIES (US) 1977-07-05 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 (4 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-20130303582-A1 COMPOSITIONS FOR PREVENTION/PROPHYLACTIC TREATMENT OF POISON IVY DERMATITIS UGT1A3, IL33, ITCH SMN1; SMN2 3131/4885ALDH1A1 1518/4885LMNA 1183/4885
US-20150202176-A1 Compositions for Prevention/Prophylactic Treatment of Poison Ivy Dermatitis UGT1A3, IL33, ITCH SMN1; SMN2 3131/4885ALDH1A1 1518/4885LMNA 1183/4885
US-20180078520-A1 COMPOSITIONS FOR PREVENTION/PROPHYLACTIC TREATMENT OF POISON IVY DERMATITIS UGT1A3, ITCH, UGT1A1 SMN1; SMN2 3622/4885ALDH1A1 850/4885LMNA 2090/4885
US-10322103-B2 Compositions for prevention/prophylactic treatment of poison ivy dermatitis UGT1A3, ITCH, UGT1A1 SMN1; SMN2 3622/4885ALDH1A1 850/4885LMNA 2090/4885

“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.