SCHEMBL2186124

SCHEMBL2186124

S=CC(C=S)n1ccnc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 11/20 0.42
CYP17A1 P05093 5/20 0.37
MEN1 O00255 1/20 0.36
NR1I2 O75469 1/20 0.36
USP2 O75604 1/20 0.36
ABCB11 O95342 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PLA2G1B P04054 1/20 0.36
TP53 P04637 1/20 0.36
PGR P06401 1/20 0.36
HSP90AA1 P07900 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
IDO1 P14902 1/20 0.36
HPGD P15428 1/20 0.36
MAOA P21397 1/20 0.36
CNR1 P21554 1/20 0.36
HTR2A P28223 1/20 0.36
MAPK1 P28482 1/20 0.36
ADRA1A P35348 1/20 0.36

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
SCHEMBL28436679 0.83 CYP19A1 (0.41) CYP19A1CYP17A1MEN1NR1I2USP2
SCHEMBL10271440 0.79
SCHEMBL2363788 0.78 CYP17A1 (0.46) CYP19A1CYP17A1MEN1NR1I2USP2
Iodide SCHEMBL27886591 0.76 CYP17A1 (0.45) CYP19A1CYP17A1MEN1NR1I2USP2
Bromide SCHEMBL28148968 0.76 CYP17A1 (0.45) CYP19A1CYP17A1MEN1NR1I2USP2
Hydrochloric Acid SCHEMBL28697092 0.76 CYP17A1 (0.45) CYP19A1CYP17A1MEN1NR1I2USP2
SCHEMBL28436682 0.73 CYP19A1 (0.41) CYP19A1CYP17A1MEN1NR1I2USP2
SCHEMBL2456178 0.73 CYP19A1 (0.48) CYP19A1CYP17A1MEN1NR1I2USP2
SCHEMBL9370000 0.70
SCHEMBL8280573 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12194448-B2 Catalysts for the transformation of carbon dioxide and glycerol to formic acid and lactic acid and methods of making the same THE GEORGE WASHINGTON UNIVERSITY (US) 2025-01-14 US claimed
US-20200171474-A1 CATALYSTS FOR THE TRANSFORMATION OF CARBON DIOXIDE AND GLYCEROL TO FORMIC ACID AND LACTIC ACID AND METHODS OF MAKING THE SAME THE GEORGE WASHINGTON UNIVERSITY 2020-06-04 US claimed
WO-2018213821-A1 CATALYSTS FOR THE TRANSFORMATION OF CARBON DIOXIDE AND GLYCEROL TO FORMIC ACID AND LACTIC ACID AND METHODS OF MAKING THE SAME THE GEORGE WASHINGTON UNIVERSITY (US) 2018-11-22 WO claimed
WO-2008082224-A1 WATER-SOLUBLE PHOTOINITIATORS INKTEC CO., LTD. (KR) 2008-07-10 WO claimed
US-12194448-B2 Catalysts for the transformation of carbon dioxide and glycerol to formic acid and lactic acid and methods of making the same THE GEORGE WASHINGTON UNIVERSITY (US) 2025-01-14 US disclosed
US-20200171474-A1 CATALYSTS FOR THE TRANSFORMATION OF CARBON DIOXIDE AND GLYCEROL TO FORMIC ACID AND LACTIC ACID AND METHODS OF MAKING THE SAME THE GEORGE WASHINGTON UNIVERSITY 2020-06-04 US disclosed
WO-2018213821-A1 CATALYSTS FOR THE TRANSFORMATION OF CARBON DIOXIDE AND GLYCEROL TO FORMIC ACID AND LACTIC ACID AND METHODS OF MAKING THE SAME THE GEORGE WASHINGTON UNIVERSITY (US) 2018-11-22 WO disclosed
US-20150200422-A1 ELECTROLYTE ADDITIVE FOR LITHIUM BATTERY, ELECTROLYTE INCLUDING THE SAME, AND LITHIUM BATTERY INCLUDING THE ELECTROLYTE SAMSUNG SDI CO., LTD. (KR) 2015-07-16 US disclosed
US-20130005739-A1 PHARMACEUTICAL PREPARATIONS COMPRISING A COS RELEASING COMPOUND LUDWIG BOLTZMANN CLUSTER FUER KARDIOVASKULAERE FORSCHUNG (AT) 2013-01-03 US disclosed
EP-2343063-A1 Pharmaceutical preparations comprising a COS releasing compound Universität Wien (AT) 2011-07-13 EP disclosed
WO-2008082224-A1 WATER-SOLUBLE PHOTOINITIATORS INKTEC CO., LTD. (KR) 2008-07-10 WO disclosed
WO-2004101530-A1 A METHOD FOR PRODUCING DIVERSE SET OF DITHIOATE COMPOUNDS BIOORGANICS & APPLIED MATERIALS PVT LIMITED (IN) 2004-11-25 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-12194448-B2 Catalysts for the transformation of carbon dioxide and glycerol to formic acid and lactic acid and methods of making the same MLX, LDHA, CA2 CYP19A1 2426/4885CYP17A1 3007/4885MEN1 1880/4885
US-20130005739-A1 PHARMACEUTICAL PREPARATIONS COMPRISING A COS RELEASING COMPOUND VIP, CRH, ADCYAP1R1 CYP19A1 427/4885CYP17A1 165/4885MEN1 376/4885
US-20200171474-A1 CATALYSTS FOR THE TRANSFORMATION OF CARBON DIOXIDE AND GLYCEROL TO FORMIC ACID AND LACTIC ACID AND METHODS OF MAKING THE SAME MLX, LDHA, CA2 CYP19A1 2426/4885CYP17A1 3007/4885MEN1 1880/4885
US-20150200422-A1 ELECTROLYTE ADDITIVE FOR LITHIUM BATTERY, ELECTROLYTE INCLUDING THE SAME, AND LITHIUM BATTERY INCLUDING THE ELECTROLYTE CLIC1, LAGE3, LRRK2 CYP19A1 1721/4885CYP17A1 1363/4885MEN1 2442/4885

“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.