SCHEMBL7429994

SCHEMBL7429994

COC(=O)c1cccc(NCC(=O)OC(C)(C)C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 1/20 0.52
EGFR P00533 1/20 0.51
MAPK1 P28482 1/20 0.51
HSD17B10 Q99714 1/20 0.51
RAB9A P51151 6/20 0.50
POLB P06746 1/20 0.50
ALDH1A1 P00352 3/20 0.49
NPC1 O15118 4/20 0.48
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 2/20 0.46
TP53 P04637 1/20 0.46
AGTR1 P30556 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.46
MEN1 O00255 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL24077532 0.88 ALDH1A1 (0.53) MAPK1HSD17B10RAB9APOLBALDH1A1
SCHEMBL15057284 0.87 HPGD (0.48) MAPK1RAB9AALDH1A1NPC1HPGD
SCHEMBL4490577 0.87 AKR1C3 (0.60) CASRRAB9APOLBALDH1A1NPC1
SCHEMBL134016 0.87 EGFR (0.57) EGFRMAPK1HSD17B10RAB9APOLB
SCHEMBL4485291 0.86 PARP14 (0.47) MEN1KMT2AAKR1C3
SCHEMBL11088028 0.85 AKR1C3 (0.47) CASRRAB9AALDH1A1MAPTAKR1C3
SCHEMBL7438829 0.82 ALDH1A1 (0.57) RAB9APOLBALDH1A1NPC1HPGD
SCHEMBL20798155 0.82 FPR3 (0.48) MAPK1RAB9AALDH1A1NPC1HPGD
SCHEMBL25203341 0.82 PTPRC (0.57) CASRMAPK1HSD17B10RAB9AALDH1A1
SCHEMBL9133529 0.82 MTNR1A (0.55) MAPK1RAB9AALDH1A1NPC1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230055040-A1 Synthesis Of Benzodiazepine Derivatives TRIO MEDICINES LIMITED (GB) 2023-02-23 US disclosed
US-11447454-B2 Synthesis of benzodiazepine derivatives TRIO MEDICINES LIMITED (GB) 2022-09-20 US disclosed
WO-2022182845-A1 MACROCYCLES AND THEIR USE BLOSSOMHILL THERAPEUTICS, INC. (US) 2022-09-01 WO disclosed
EP-3331865-B1 SYNTHESIS OF BENZODIAZEPINE DERIVATIVES TRIO MEDICINES LTD (GB) 2021-05-12 EP disclosed
US-20200223807-A1 Synthesis Of Benzodiazepine Derivatives TRIO MEDICINES LIMITED (GB) 2020-07-16 US disclosed
US-10570102-B2 Synthesis of benzodiazepine derivatives TRIO MEDICINES LIMITED (GB) 2020-02-25 US disclosed
US-20180237400-A1 Synthesis Of Benzodiazepine Derivatives TRIO MEDICINES LIMITED (GB) 2018-08-23 US disclosed
EP-3331865-A1 SYNTHESIS OF BENZODIAZEPINE DERIVATIVES Trio Medicines Limited (GB) 2018-06-13 EP disclosed
CN-108055843-A Synthesis of benzodiazepine derivatives 特里奥医药有限公司 2018-05-18 CN disclosed
WO-2017025727-A1 SYNTHESIS OF BENZODIAZEPINE DERIVATIVES TRIO MEDICINES LIMITED (GB) 2017-02-16 WO disclosed
EP-0384636-A1 Pharmaceutically active compounds FISONS plc (GB) 1990-08-29 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 (5 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-20200223807-A1 Synthesis Of Benzodiazepine Derivatives GABRA1, GABRA5, GABRE CASR 2454/4885EGFR 2212/4885MAPK1 2292/4885
US-11447454-B2 Synthesis of benzodiazepine derivatives GABRA1, GABRA5, GABRE CASR 2454/4885EGFR 2212/4885MAPK1 2292/4885
US-20180237400-A1 Synthesis Of Benzodiazepine Derivatives GABRE, GABRA1, GABRA5 CASR 2438/4885EGFR 1950/4885MAPK1 2409/4885
US-10570102-B2 Synthesis of benzodiazepine derivatives GABRE, GABRA1, GABRA5 CASR 2438/4885EGFR 1950/4885MAPK1 2409/4885
US-20230055040-A1 Synthesis Of Benzodiazepine Derivatives GABRE, GABRA1, GABRA5 CASR 2438/4885EGFR 1950/4885MAPK1 2409/4885

“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.