SCHEMBL1370602

SCHEMBL1370602

C=CC1COC(C)(C)N1C(=O)OC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.46
BRD4 O60885 1/20 0.38
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
USP2 O75604 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HCRTR2 O43614 1/20 0.33
BUB1 O43683 1/20 0.32
RECQL P46063 1/20 0.31
HSD11B2 P80365 1/20 0.31
NR1H2 P55055 2/20 0.31
EPHX2 P34913 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL1840177 1.00 SPHK1 (0.46) SPHK1BRD4CHRM2CHRM1CHRM3
SCHEMBL1370603 1.00 SPHK1 (0.46) SPHK1BRD4CHRM2CHRM1CHRM3
SCHEMBL222671 0.87 SPHK1 (0.50) SPHK1BRD4CHRM2CHRM1CHRM3
SCHEMBL222670 0.87 SPHK1 (0.50) SPHK1BRD4CHRM2CHRM1CHRM3
SCHEMBL209164 0.87 SPHK1 (0.50) SPHK1BRD4CHRM2CHRM1CHRM3
SCHEMBL10211199 0.86 SPHK1 (0.45) SPHK1BRD4CHRM2CHRM1CHRM3
SCHEMBL13964503 0.84 SPHK1 (0.46) SPHK1BRD4CHRM2CHRM1CHRM3
SCHEMBL6444864 0.84 SPHK1 (0.46) SPHK1BRD4CHRM2CHRM1CHRM3
SCHEMBL2615731 0.84 SPHK1 (0.46) SPHK1BRD4CHRM2CHRM1CHRM3
SCHEMBL6444859 0.84 SPHK1 (0.46) SPHK1BRD4CHRM2CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12336991-B2 Factor XIIA inhibitors UNIVERSITY OF LEEDS (GB) 2025-06-24 US disclosed
US-RE49481-E1 Compounds for the treatment and prophylaxis of respiratory syncytial virus disease HOFFMANN-LA ROCHE INC. (US) 2023-04-04 US disclosed
US-20220305011-A1 FACTOR XIIA INHIBITORS UNIVERSITY OF LEEDS (GB) 2022-09-29 US disclosed
CN-113573779-A C10-alkylene substituted 13-membered macrolides and their use 齐卡尼治疗股份有限公司 2021-10-29 CN disclosed
EP-3773555-A1 FACTOR XIIA INHIBITORS University of Leeds (GB) 2021-02-17 EP disclosed
CN-112165938-A Factor XIIA inhibitors 利兹大学 2021-01-01 CN disclosed
WO-2019186164-A1 FACTOR XIIA INHIBITORS UNIVERSITY OF LEEDS (GB) 2019-10-03 WO disclosed
US-9688668-B2 Long chain base sphingosine kinase inhibitors UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2017-06-27 US disclosed
CN-103717589-B For treating or prevent the compound of respiratory syncytial virus disease 弗·哈夫曼-拉罗切有限公司 2016-08-17 CN disclosed
EP-2321287-B1 4,5-DIHYDRO-OXAZOL-2-YL DERIVATIVES HOFFMANN LA ROCHE (CH) 2015-11-11 EP disclosed
US-6900224-B2 Antimicrobial quinolones, their compositions and uses THE PROCTER & GAMBLE COMPANY (US) 2005-05-31 US disclosed
EP-1532137-A2 ANTIMICROBIAL AZA-BICYCLIC DERIVATES, THEIR COMPOSITIONS AND USES THE PROCTER & GAMBLE COMPANY (US) 2005-05-25 EP disclosed
US-20050107345-A1 Aminoalkylphosphonates and related compounds as edg receptor agonists DOHERTY GEORGE A (US) 2005-05-19 US disclosed
EP-1482895-A4 AMINOALKYLPHOSPHONATES AND RELATED COMPOUNDS AS EDG RECEPTOR AGONISTS MERCK & CO INC (US) 2005-04-27 EP disclosed
EP-1482896-A2 AMINOALKYLPHOSPHONATES AND RELATED COMPOUNDS AS EDG RECEPTOR AGONISTS Merck & Co., Inc. (US) 2004-12-08 EP disclosed
EP-1482895-A2 AMINOALKYLPHOSPHONATES AND RELATED COMPOUNDS AS EDG RECEPTOR AGONISTS Merck & Co., Inc. (US) 2004-12-08 EP disclosed
US-20040038975-A1 Antimicrobial quinolones, their compositions and uses THE PROCTER & GAMBLE COMPANY 2004-02-26 US disclosed
WO-2004014893-A2 ANTIMICROBIAL AZA-BICYCLIC DERIVATES, THEIR COMPOSITIONS AND USES THE PROCTER & GAMBLE COMPANY (US) 2004-02-19 WO disclosed
WO-2003074008-A2 AMINOALKYLPHOSPHONATES AND RELATED COMPOUNDS AS EDG RECEPTOR AGONISTS MERCK & CO., INC. (US) 2003-09-12 WO disclosed
WO-2003073986-A2 AMINOALKYLPHOSPHONATES AND RELATED COMPOUNDS AS EDG RECEPTOR AGONISTS MERCK & CO., INC. (US) 2003-09-12 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 (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-20040038975-A1 Antimicrobial quinolones, their compositions and uses QARS1, NQO2, Q6ZSR9 SPHK1 4612/4885BRD4 1366/4885CHRM2 4566/4885
US-20050107345-A1 Aminoalkylphosphonates and related compounds as edg receptor agonists EDNRA, ADGRE5, ADGRF1 SPHK1 1222/4885BRD4 4302/4885CHRM2 601/4885
US-20220305011-A1 FACTOR XIIA INHIBITORS F11, F13B, F12 SPHK1 3278/4885BRD4 3332/4885CHRM2 4223/4885
US-12336991-B2 Factor XIIA inhibitors F11, F13B, F12 SPHK1 3278/4885BRD4 3332/4885CHRM2 4223/4885

“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.