SCHEMBL9168971

SCHEMBL9168971

CCOc1ccccc1CS

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 7/20 0.60
MAPT P10636 3/20 0.60
NPSR1 Q6W5P4 1/20 0.60
ALDH1A1 P00352 4/20 0.52
ATM Q13315 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
POLB P06746 1/20 0.49
MEN1 O00255 1/20 0.49
GAA P10253 1/20 0.49
THRB P10828 1/20 0.49
RECQL P46063 1/20 0.49
BLM P54132 1/20 0.49
KMT2A Q03164 1/20 0.49
PLEC Q15149 1/20 0.49
MAPK1 P28482 1/20 0.47
GLA P06280 1/20 0.46
ALOX15 P16050 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL18473531 0.83 L3MBTL1 (0.56) L3MBTL1MAPTNPSR1ALDH1A1ATM
SCHEMBL5254664 0.82 L3MBTL1 (0.64) L3MBTL1MAPTNPSR1ALDH1A1ATM
SCHEMBL31054 0.82 L3MBTL1 (0.84) L3MBTL1MAPTNPSR1ALDH1A1ATM
Hydrogen Sulfide SCHEMBL27992698 0.80 L3MBTL1 (0.81) L3MBTL1MAPTNPSR1ALDH1A1ATM
Hydrochloric Acid SCHEMBL4075280 0.78 L3MBTL1 (0.60) L3MBTL1MAPTNPSR1ALDH1A1ATM
SCHEMBL469001 0.78 L3MBTL1 (0.60) L3MBTL1MAPTNPSR1ALDH1A1ATM
SCHEMBL561755 0.78 L3MBTL1 (0.60) L3MBTL1MAPTNPSR1ALDH1A1ATM
SCHEMBL695757 0.78 L3MBTL1 (0.60) L3MBTL1MAPTNPSR1ALDH1A1ATM
SCHEMBL4262567 0.78 L3MBTL1 (0.60) L3MBTL1MAPTNPSR1ALDH1A1ATM
SCHEMBL2435543 0.78 L3MBTL1 (0.60) L3MBTL1MAPTNPSR1ALDH1A1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170196862-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-07-13 US disclosed
US-5420128-A Pyrimidine derivatives, method of manufacturing the same, and androgen inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-05-30 US disclosed
EP-0503099-A1 PYRIMIDINE DERIVATIVE, PRODUCTION THEREOF, AND ANDROGEN INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-09-16 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-20170196862-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 L3MBTL1 3997/4885MAPT 4883/4885NPSR1 796/4885

“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.