SCHEMBL9482020

SCHEMBL9482020

O=C1[C@@H]2CSC(c3ccccc3)N2C(=O)N1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.48
EP300 Q09472 2/20 0.47
F2 P00734 1/20 0.45
PLG P00747 1/20 0.45
ELANE P08246 1/20 0.45
CTSG P08311 1/20 0.45
CMA1 P23946 1/20 0.45
CTRC Q99895 1/20 0.45
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
ALDH1A1 P00352 3/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
EHMT2 Q96KQ7 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
TSHR P16473 1/20 0.41
GSK3B P49841 1/20 0.41

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
SCHEMBL17961704 1.00 ADORA2A (0.48) ADORA2AEP300F2PLGELANE
SCHEMBL9771410 0.92 POLB (0.51) ADORA2AEP300TP53POLBALDH1A1
SCHEMBL9771405 0.91 TP53 (0.53) ADORA2ATP53POLBALDH1A1KMT2A
SCHEMBL9771367 0.88 MEN1 (0.54) EP300CMA1ALDH1A1KMT2AMEN1
SCHEMBL9771317 0.87 POLB (0.55) POLBALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL9771398 0.83 ADORA2A (0.48) ADORA2AEP300F2PLGELANE
SCHEMBL9771359 0.81 POLB (0.39) TP53POLBALDH1A1KMT2AMEN1
SCHEMBL10073003 0.81 CMA1 (0.51) CMA1TP53POLBALDH1A1KMT2A
SCHEMBL14019658 0.80 POLB (0.46) TP53POLBALDH1A1SMN1; SMN2
SCHEMBL9771422 0.74 EP300 (0.49) ADORA2AEP300F2PLGELANE

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-9522922-B2 Process for the preparation of intermediate for the preparation of oseltamivir phosphate COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2016-12-20 US disclosed
US-20160222029-A1 A PROCESS FOR THE PREPARATION OF INTERMEDIATE FOR THE PREPARATION OF OSELTAMIVIR PHOSPHATE COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2016-08-04 US disclosed
US-5250699-A Intermediates in the preparation of biotins MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-10-05 US disclosed
US-5095118-A PROCESS FOR THE PREPARATION OF D-(+)-BIOTIN MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-03-10 US disclosed
EP-0242686-B1 PROCESS FOR THE PREPARATION OF D-(+)-BIOTINE MERCK PATENT GmbH (DE) 1992-01-29 EP disclosed
US-5068341-A OPTICALLY ACTIVE HYDANTOINS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-11-26 US disclosed
EP-0439564-A1 PROCESS FOR PREPARING D-(+)-BIOTIN MERCK PATENT GmbH (DE) 1991-08-07 EP disclosed
EP-0243734-B1 OPTICALLY ACTIVE HYDANTOIN MERCK PATENT GmbH (DE) 1991-07-17 EP disclosed
WO-1991002734-A1 PROCESS FOR PREPARING D-(+)-BIOTIN MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1991-03-07 WO disclosed
US-4937351-A Process for the preparation of D-(+)-biotin MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1990-06-26 US disclosed
US-4877882-A Process for the preparation of D-(+)-biotin MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1989-10-31 US disclosed
US-4837402-A Process for the preparation of D-(+)-biotin MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1989-06-06 US disclosed
US-4732987-A Process for the preparation of D-(+)-biotin MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1988-03-22 US disclosed
EP-0243734-A2 Optically active hydantoin MERCK PATENT GmbH (DE) 1987-11-04 EP disclosed
EP-0242686-A2 Process for the preparation of D-(+)-biotine MERCK PATENT GmbH (DE) 1987-10-28 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 (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-20160222029-A1 A PROCESS FOR THE PREPARATION OF INTERMEDIATE FOR THE PREPARATION OF OSELTAMIVIR PHOSPHATE OSGEP, CYP2B6, CYP2F1 ADORA2A 260/4885EP300 4547/4885F2 3617/4885

“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.