SCHEMBL12349707

SCHEMBL12349707

C=C(C)SCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 7/20 0.54
NOS1 P29475 2/20 0.54
NOS3 P29474 1/20 0.54
NOS2 P35228 1/20 0.54
TDP1 Q9NUW8 2/20 0.52
GAA P10253 1/20 0.52
TAAR1 Q96RJ0 1/20 0.52
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
ALDH1A1 P00352 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.42
SLC11A2 P49281 1/20 0.41
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
PRMT1 Q99873 1/20 0.39
CYP2C19 P33261 1/20 0.39
HDAC3 O15379 1/20 0.39

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
SCHEMBL12651739 0.81 IDO1 (0.58) IDO1NOS1NOS3NOS2TDP1
SCHEMBL560906 0.81 IDO1 (0.58) IDO1NOS1NOS3NOS2TDP1
SCHEMBL331133 0.79 IDO1 (0.47) IDO1NOS1NOS3NOS2TDP1
SCHEMBL1140195 0.79 IDO1 (0.61) IDO1NOS1NOS3NOS2TDP1
SCHEMBL162537 0.79 CA12 (0.63) IDO1NOS1NOS3NOS2TDP1
SCHEMBL23786827 0.78 IDO1 (0.53) IDO1NOS1NOS3NOS2TDP1
Hydrochloric Acid SCHEMBL5506584 0.77 IDO1 (0.63) IDO1NOS1NOS3NOS2TDP1
Bromide SCHEMBL1244857 0.77 IDO1 (0.63) IDO1NOS1NOS3NOS2TDP1
SCHEMBL42484 0.77 IDO1 (0.54) IDO1NOS1NOS3NOS2TDP1
SCHEMBL7871370 0.77 IDO1 (0.54) IDO1NOS1NOS3NOS2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022161416-A1 AROMATIC COMPOUND, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 武汉朗来科技发展有限公司 2022-08-04 WO disclosed
WO-2020198055-A1 ALLOSTERIC BCR-ABL PROTEOLYSIS TARGETING CHIMERIC COMPOUNDS YALE UNIVERSITY (US) 2020-10-01 WO disclosed
WO-2019177902-A1 MODULATORS OF BTK PROTEOLYSIS AND METHODS OF USE YALE UNIVERSITY (US) 2019-09-19 WO disclosed
WO-2018119448-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF RAPIDLY ACCELERATED FIBROSARCOMA POLYPEPTIDES Arvinas, Inc. (US) 2018-06-28 WO disclosed
US-20110190467-A1 Biological Polysiloxanes VISION CRC LIMITED (AU) 2011-08-04 US disclosed
US-20090276042-A1 Biological Polysiloxanes VISION CRC LIMITED (AU) 2009-11-05 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-20090276042-A1 Biological Polysiloxanes PBK, B2M, CD79B IDO1 4333/4885NOS1 4008/4885NOS3 3405/4885

“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.