SCHEMBL3699002

SCHEMBL3699002

O=C(Nc1ccc(N2CCCS2(O)O)cc1)[C@H]1Cc2ccccc2CN1C(=O)Nc1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CFTR P13569 7/20 0.49
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
F10 P00742 5/20 0.45
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
TAS1R2 Q8TE23 1/20 0.45
LMNA P02545 1/20 0.45
PKM P14618 1/20 0.45
POLB P06746 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
NAMPT P43490 1/20 0.42

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
SCHEMBL3693911 0.97 CFTR (0.49) CFTRMEN1GAAKMT2AF10
SCHEMBL3699004 0.91 CFTR (0.51) CFTRMEN1GAAKMT2AF10
SCHEMBL3693915 0.88 F10 (0.54) CFTRMEN1GAAKMT2AF10
SCHEMBL13626549 0.81 NAMPT (0.51) CFTRMEN1GAAKMT2AF10
SCHEMBL13626550 0.81 NAMPT (0.51) CFTRMEN1GAAKMT2AF10
SCHEMBL13626504 0.81 NAMPT (0.51) CFTRMEN1GAAKMT2AF10
SCHEMBL13664671 0.80 F10 (0.54) CFTRMEN1GAAKMT2AF10
SCHEMBL13626564 0.80 F10 (0.54) CFTRMEN1GAAKMT2AF10
SCHEMBL13626560 0.80 F10 (0.52) CFTRMEN1GAAKMT2AF10
SCHEMBL13626502 0.79 LMNA (0.58) CFTRMEN1GAAKMT2AF10

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-20120122854-A1 Carbocyclic Fused Cyclic Amines BOEHRINGER MARKUS (CH) 2012-05-17 US disclosed
US-20070112012-A1 Carbocyclic fused cyclic amines F. HOFFMANN-LA ROCHE AG (CH) 2007-05-17 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-20070112012-A1 Carbocyclic fused cyclic amines F12, F11, F2 CFTR 779/4885MEN1 191/4885GAA 2189/4885
US-20120122854-A1 Carbocyclic Fused Cyclic Amines F12, F11, F2 CFTR 779/4885MEN1 191/4885GAA 2189/4885

“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.