SCHEMBL9780834

SCHEMBL9780834

C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
ALOX15 P16050 1/20 0.52
CYP2C19 P33261 1/20 0.52
HDAC8 Q9BY41 5/20 0.51
EPHX1 P07099 1/20 0.49
GAA P10253 1/20 0.48
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PPARA Q07869 1/20 0.46
CYP2C9 P11712 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
NR4A2 P43354 1/20 0.44
IDO1 P14902 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL6005671 1.00 CYP3A4 (0.52) CYP3A4CYP1A2CYP2D6ALOX15CYP2C19
SCHEMBL14198757 0.86 GAA (0.51) CYP3A4CYP1A2CYP2D6ALOX15CYP2C19
SCHEMBL1923014 0.86 GAA (0.51) CYP3A4CYP1A2CYP2D6ALOX15CYP2C19
SCHEMBL21400207 0.86 GAA (0.51) CYP3A4CYP1A2CYP2D6ALOX15CYP2C19
SCHEMBL26379104 0.85 CYP1A2 (0.42) CYP3A4CYP1A2CYP2D6ALOX15CYP2C19
SCHEMBL20272550 0.85 CYP1A2 (0.42) CYP3A4CYP1A2CYP2D6ALOX15CYP2C19
SCHEMBL6468973 0.85 TSHR (0.50) CYP3A4CYP1A2CYP2D6ALOX15CYP2C19
SCHEMBL6468980 0.85 TSHR (0.50) CYP3A4CYP1A2CYP2D6ALOX15CYP2C19
SCHEMBL11458388 0.84 IDO1 (0.49) CYP3A4CYP1A2CYP2C19HDAC8EPHX1
SCHEMBL2482374 0.83 PPARA (0.48) CYP3A4CYP1A2CYP2D6ALOX15CYP2C19

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-20170275279-A1 SPECIFIC INHIBITORS OF METHIONYL-TRNA SYNTHETASE UNIVERSITY OF WASHINGTON 2017-09-28 US disclosed
US-5010060-A Method of treating herpes simplex viral infection employing pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 1991-04-23 US disclosed
US-4851519-A AMIDO NUCLEOSIDES, VIRICIDES HOFFMANN-LA ROCHE INC. (US) 1989-07-25 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-20170275279-A1 SPECIFIC INHIBITORS OF METHIONYL-TRNA SYNTHETASE AARS1, MTR, GARS1 CYP3A4 3805/4885CYP1A2 3987/4885CYP2D6 3206/4885

“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.