SCHEMBL3924533

SCHEMBL3924533

N#Cc1cn(CC(=O)O)cc1-c1cc(C(F)(F)F)cc(S(=O)(=O)N2CCN(Cc3ccncc3)CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
CNR1 P21554 5/20 0.40
KDM4E B2RXH2 3/20 0.40
USP2 O75604 3/20 0.40
CYP3A4 P08684 3/20 0.40
CYP2C9 P11712 3/20 0.40
ALDH1A1 P00352 2/20 0.40
TSHR P16473 2/20 0.40
LSS P48449 2/20 0.39
KCNH2 Q12809 3/20 0.39
HIF1A Q16665 1/20 0.38
EPAS1 Q99814 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
TP53 P04637 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
SCHEMBL4144085 0.93 PTGDR2 (0.42) CNR1KDM4EUSP2ALDH1A1TSHR
SCHEMBL3912621 0.89 L3MBTL1 (0.46) L3MBTL1CNR1KDM4ECYP3A4TSHR
SCHEMBL3917626 0.89 LSS (0.46) SMN1; SMN2MEN1POLBKMT2ACNR1
SCHEMBL3597643 0.85 CNR1 (0.39) L3MBTL1SMN1; SMN2MEN1POLBKMT2A
SCHEMBL3596115 0.85 ALDH1A1 (0.43) L3MBTL1KMT2ACNR1ALDH1A1TSHR
SCHEMBL3590430 0.84 CNR1 (0.41) L3MBTL1MEN1POLBKMT2ACNR1
SCHEMBL3605409 0.83 EPHX2 (0.40) L3MBTL1KMT2ACNR1ALDH1A1KCNH2
SCHEMBL3917987 0.83 GAA (0.44) SMN1; SMN2CNR1USP2ALDH1A1TSHR
SCHEMBL3914118 0.82 LMNA (0.45) L3MBTL1SMN1; SMN2MEN1POLBKMT2A
SCHEMBL4140420 0.82 KMT2A (0.44) SMN1; SMN2MEN1POLBKMT2ACNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090209552-A1 Organic Compounds NOVARTIS AG 2009-08-20 US claimed
EP-2032555-A1 PYRROLE DERIVATIVES WITH CRTH2 RECEPTOR MODULATOR ACTIVITY Novartis AG (CH) 2009-03-11 EP claimed
WO-2007144127-A1 PYRROLE DERIVATIVES WITH CRTH2 RECEPTOR MODULATOR ACTIVITY NOVARTIS AG (CH) 2007-12-21 WO claimed
US-20090209552-A1 Organic Compounds NOVARTIS AG 2009-08-20 US disclosed
EP-2032555-A1 PYRROLE DERIVATIVES WITH CRTH2 RECEPTOR MODULATOR ACTIVITY Novartis AG (CH) 2009-03-11 EP disclosed
WO-2007144127-A1 PYRROLE DERIVATIVES WITH CRTH2 RECEPTOR MODULATOR ACTIVITY NOVARTIS AG (CH) 2007-12-21 WO 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-20090209552-A1 Organic Compounds SLCO1B3, SLCO1B1, SLC10A6 L3MBTL1 2382/4885SMN1; SMN2 3658/4885MEN1 594/4885

“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.