SCHEMBL17192044

SCHEMBL17192044

Cc1cc(N)c(C(=O)O)c(Cl)c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
MAPK1 P28482 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP3A4 P08684 4/20 0.40
KDM4E B2RXH2 3/20 0.40
KMT2A Q03164 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
MEN1 O00255 1/20 0.40
CD44 P16070 1/20 0.39
LDHA P00338 1/20 0.38
LDHB P07195 1/20 0.38
ACHE P22303 1/20 0.37
MAPT P10636 2/20 0.36
DAO P14920 1/20 0.36
GAA P10253 1/20 0.36
IMPDH2 P12268 1/20 0.36
CHRM1 P11229 1/20 0.35
ALOX15 P16050 1/20 0.35
MAOA P21397 1/20 0.35
TBXA2R P21731 1/20 0.35

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
SCHEMBL29918124 0.85 ALDH1A1 (0.44) ALDH1A1MAPK1SMN1; SMN2CYP3A4KDM4E
SCHEMBL8861080 0.85 KDM4E (0.40) ALDH1A1MAPK1SMN1; SMN2CYP3A4KDM4E
SCHEMBL29918082 0.82 KDM4E (0.44) ALDH1A1MAPK1SMN1; SMN2CYP3A4KDM4E
SCHEMBL7952598 0.80 ALDH1A1 (0.46) ALDH1A1MAPK1SMN1; SMN2CYP3A4KDM4E
SCHEMBL28700659 0.78 ALDH1A1 (0.44) ALDH1A1MAPK1SMN1; SMN2CYP3A4KDM4E
SCHEMBL5472015 0.78 CYP3A4 (0.45) ALDH1A1MAPK1SMN1; SMN2CYP3A4KDM4E
SCHEMBL7022036 0.74 ALDH1A1 (0.40) ALDH1A1MAPK1SMN1; SMN2CYP3A4KDM4E
SCHEMBL8762020 0.74 CYP3A4 (0.44) ALDH1A1MAPK1SMN1; SMN2CYP3A4KDM4E
SCHEMBL27451659 0.74 CYP3A4 (0.45) ALDH1A1MAPK1SMN1; SMN2CYP3A4KDM4E
SCHEMBL30888615 0.72 ALDH1A1 (0.46) ALDH1A1MAPK1SMN1; SMN2CYP3A4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170281532-A1 2 SUBSTITUTED CEPHEM COMPOUNDS GLAXO GROUP LIMITED (GB) 2017-10-05 US disclosed
US-20150299223-A1 2-SUBSTITUTED CEPHEM COMPOUNDS GLAXO GROUP LTD (GB) 2015-10-22 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 (2 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-20170281532-A1 2 SUBSTITUTED CEPHEM COMPOUNDS CEP170, CES2, CMBL ALDH1A1 1437/4885MAPK1 4620/4885SMN1; SMN2 4325/4885
US-20150299223-A1 2-SUBSTITUTED CEPHEM COMPOUNDS CEP170, ABL1, CEPT1 ALDH1A1 3320/4885MAPK1 3118/4885SMN1; SMN2 4571/4885

“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.