SCHEMBL19006724

SCHEMBL19006724

COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.47
ALDH1A1 P00352 2/20 0.47
GAA P10253 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MAPT P10636 5/20 0.45
PPARG P37231 4/20 0.45
PPARA Q07869 4/20 0.45
TP53 P04637 3/20 0.45
LMNA P02545 2/20 0.45
THRB P10828 1/20 0.45
PPARD Q03181 2/20 0.44

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
SCHEMBL20473276 1.00 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1GAACYP1A2CYP3A4
SCHEMBL20473336 0.93 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1GAACYP1A2CYP3A4
SCHEMBL28905494 0.93 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1GAACYP1A2CYP3A4
SCHEMBL21272145 0.90 MAPT (0.49) SMN1; SMN2ALDH1A1GAACYP1A2CYP3A4
SCHEMBL21272147 0.90 MAPT (0.49) SMN1; SMN2ALDH1A1GAACYP1A2CYP3A4
SCHEMBL29601910 0.89 CTSS (0.41) SMN1; SMN2ALDH1A1GAAMAPTPPARG
SCHEMBL20473299 0.89 CTSS (0.41) SMN1; SMN2ALDH1A1GAAMAPTPPARG
SCHEMBL21272211 0.88 MAPT (0.51) SMN1; SMN2ALDH1A1GAACYP1A2CYP3A4
SCHEMBL21272208 0.88 MAPT (0.51) SMN1; SMN2ALDH1A1GAACYP1A2CYP3A4
SCHEMBL20473233 0.87 CCR9 (0.45) SMN1; SMN2ALDH1A1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180312511-A1 SHORT-ACTING BENZODIAZEPINE DERIVATIVES, PREPARATION METHOD THEREFOR, AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2018-11-01 US disclosed
EP-3363801-A1 SHORT-ACTING BENZODIAZEPINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2018-08-22 EP disclosed
WO-2017101808-A1 SHORT-ACTING BENZODIAZEPINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2017-06-22 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 (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-20180312511-A1 SHORT-ACTING BENZODIAZEPINE DERIVATIVES, PREPARATION METHOD THEREFOR, AND USE THEREOF GABRA5, GABRA1, GABRA6 SMN1; SMN2 3525/4885ALDH1A1 464/4885GAA 2818/4885

“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.