SCHEMBL20109346

SCHEMBL20109346

C=C=CC(=O)SCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 9/20 0.44
NOS3 P29474 1/20 0.44
NOS1 P29475 1/20 0.44
NOS2 P35228 1/20 0.44
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
CYP2C19 P33261 2/20 0.41
CYP2C9 P11712 2/20 0.39
CYP1A2 P05177 1/20 0.39
GAA P10253 1/20 0.39
CYP2D6 P10635 1/20 0.39
PTPRC P08575 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37

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
SCHEMBL672394 0.79 IDO1 (0.48) IDO1NOS3NOS1NOS2TDP1
SCHEMBL16116290 0.76 IDO1 (0.48) IDO1NOS3NOS1NOS2TDP1
SCHEMBL27679236 0.73 IDO1 (0.46) IDO1NOS3NOS1NOS2TDP1
SCHEMBL28774870 0.73 IDO1 (0.46) IDO1NOS3NOS1NOS2TDP1
SCHEMBL16115015 0.72 IDO1 (0.54) IDO1NOS3NOS1NOS2TDP1
SCHEMBL79058 0.72 IDO1 (0.58) IDO1NOS3NOS1NOS2TDP1
SCHEMBL3070200 0.72 IDO1 (0.71) IDO1NOS3NOS1NOS2TDP1
SCHEMBL9732297 0.72 CES1 (0.50) L3MBTL1CYP2C9GAAALDH1A1HDAC8
SCHEMBL42977 0.71 IDO1 (0.44) IDO1NOS3NOS1NOS2TDP1
Hydrochloric Acid SCHEMBL11629727 0.70 IDO1 (0.59) IDO1NOS3NOS1NOS2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180118770-A1 N-Heterocyclic Phosphines THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS 2018-05-03 US 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-20180118770-A1 N-Heterocyclic Phosphines NANP, PPIP5K2, PHPT1 IDO1 3933/4885NOS3 956/4885NOS1 1015/4885

“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.