SCHEMBL4030884

SCHEMBL4030884

CC1CCCCN1CCCNC(=O)[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(-c2ccccc2C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.47
CYP2D6 P10635 3/20 0.47
KMT2A Q03164 1/20 0.40
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP2C19 P33261 3/20 0.39
THRB P10828 1/20 0.39
KDM2B Q8NHM5 1/20 0.39
FKBP1A P62942 3/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL4035938 0.89 PSEN1 (0.47) CYP2D6KMT2APSEN1PSEN2APH1B
SCHEMBL4036708 0.86 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4030753 0.86 HTR7 (0.46) CYP2D6KMT2APSEN1PSEN2APH1B
SCHEMBL4036392 0.85 POLB (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4032887 0.84 ITGB2 (0.46) KMT2AALDH1A1L3MBTL1TSHR
SCHEMBL4032860 0.84 MAPK1 (0.40) CYP3A4CYP2D6PSEN1PSEN2APH1B
SCHEMBL4203772 0.83 MAPK1 (0.42) CYP3A4CYP2D6MAPK1ALDH1A1CYP2C19
SCHEMBL4842900 0.83 FFAR4 (0.43) CYP3A4CYP2D6MAPK1ALDH1A1KDM2B
SCHEMBL4842444 0.83 MAPK1 (0.40) CYP3A4CYP2D6KMT2APSEN1PSEN2
SCHEMBL4039819 0.83 MAPK1 (0.40) CYP3A4CYP2D6MAPK1ALDH1A1KDM2B

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
EP-1885695-B1 INDOLINE COMPOUNDS FOURNIER LAB SA (FR) 2009-02-25 EP disclosed
US-7465811-B2 Indoline compounds LABORATOIRES FOURNIER S.A. (FR) 2008-12-16 US disclosed
US-20080119465-A1 Novel Indoline Compounds LABORATORIES FOURNIER S.A. (FR) 2008-05-22 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 (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-20080119465-A1 Novel Indoline Compounds GPR119, INSR, IRS1 CYP3A4 448/4885CYP2D6 2219/4885KMT2A 1435/4885

“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.