SCHEMBL1748370

SCHEMBL1748370

CC(Nc1cc(F)ccc1S(C)(=O)=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
CCR2 P41597 1/20 0.42
GPR55 Q9Y2T6 2/20 0.42
NPC1 O15118 1/20 0.41
PTGS2 P35354 1/20 0.41
SCN1A P35498 3/20 0.41
SCN5A Q14524 3/20 0.41
SCN8A Q9UQD0 3/20 0.41
SCN1B Q07699 2/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2C P18825 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
MTOR P42345 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
EGFR P00533 2/20 0.39
KDM4E B2RXH2 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
SCHEMBL1748401 0.83 CCR2 (0.49) CCR2GPR55SCN1ASCN5ASCN8A
SCHEMBL5021123 0.81 CCR2 (0.39) KMT2AMEN1CCR2GPR55ADRA2A
SCHEMBL5321618 0.77 SCN1A (0.44) CCR2SCN1ASCN5ASCN8ASCN1B
SCHEMBL5021160 0.76 CCR2 (0.39) CCR2SCN1ASCN5ASCN8ASCN1B
SCHEMBL5021157 0.74 CCR2 (0.43) CCR2SCN1ASCN5ASCN8ASCN1B
SCHEMBL475664 0.74 HPGD (0.65) KMT2AKDM4EALDH1A1MAPT
SCHEMBL5021179 0.73 ALDH1A1 (0.62) KMT2ACRHBPCRHR2KDM4EALDH1A1
Hydrochloric Acid SCHEMBL1747995 0.73 HPGD (0.64) KMT2AKDM4EALDH1A1MAPT
SCHEMBL3711849 0.73 SCN8A (0.46) KMT2AMEN1NPC1SCN1ASCN5A
SCHEMBL28665908 0.72 KDM4E (0.59) NPC1MTORCRHBPCRHR2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8604021-B2 Substituted arylamine compounds and methods of treatment BECKER OREN (IL) 2013-12-10 US disclosed
US-20120115850-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND METHODS OF TREATMENT BECKER OREN (IL) 2012-05-10 US disclosed
US-20120115850-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND METHODS OF TREATMENT BECKER OREN (IL) 2012-05-10 US disclosed
US-20120115850-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND METHODS OF TREATMENT BECKER OREN (IL) 2012-05-10 US disclosed
US-7968538-B2 Substituted arylamine compounds and methods of treatment GALENEA CORP. (US) 2011-06-28 US disclosed
US-7968538-B2 Substituted arylamine compounds and methods of treatment GALENEA CORP. (US) 2011-06-28 US disclosed
US-7968538-B2 Substituted arylamine compounds and methods of treatment GALENEA CORP. (US) 2011-06-28 US disclosed
US-20060205737-A1 Substituted arylamine compounds and methods of treatment GALENEA CORPORATION 2006-09-14 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-20120115850-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND METHODS OF TREATMENT HTR6, HTR2A, HTR3B KMT2A 609/4885MEN1 3832/4885CCR2 1022/4885
US-20060205737-A1 Substituted arylamine compounds and methods of treatment HTR6, HTR2A, HTR3B KMT2A 609/4885MEN1 3832/4885CCR2 1022/4885

“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.