SCHEMBL4144085

SCHEMBL4144085

N#Cc1cn(CC(=O)O)cc1-c1cc(C(F)(F)F)cc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.42
ALDH1A1 P00352 4/20 0.40
LMNA P02545 2/20 0.40
HSD17B10 Q99714 1/20 0.40
KDM4E B2RXH2 2/20 0.40
CNR1 P21554 2/20 0.40
USP2 O75604 2/20 0.40
CHRM4 P08173 1/20 0.40
ACHE P22303 1/20 0.40
TSHR P16473 1/20 0.39
CYP1A2 P05177 1/20 0.39
GAA P10253 1/20 0.39
CYP2D6 P10635 1/20 0.39
PKM P14618 1/20 0.39
CYP2C19 P33261 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
SCHEMBL3924533 0.93 L3MBTL1 (0.44) PTGDR2ALDH1A1KDM4ECNR1USP2
SCHEMBL4140420 0.89 KMT2A (0.44) PTGDR2ALDH1A1LMNAHSD17B10CNR1
SCHEMBL4151537 0.88 KDM4E (0.47) PTGDR2ALDH1A1LMNAHSD17B10KDM4E
SCHEMBL3917987 0.88 GAA (0.44) ALDH1A1LMNAHSD17B10CNR1USP2
SCHEMBL3597643 0.87 CNR1 (0.39) PTGDR2ALDH1A1LMNACNR1CYP1A2
SCHEMBL3596115 0.87 ALDH1A1 (0.43) ALDH1A1LMNAHSD17B10CNR1TSHR
SCHEMBL3590430 0.86 CNR1 (0.41) PTGDR2ALDH1A1LMNACNR1TSHR
SCHEMBL3605409 0.85 EPHX2 (0.40) ALDH1A1LMNACNR1GAA
SCHEMBL3914118 0.84 LMNA (0.45) ALDH1A1LMNAHSD17B10KDM4EUSP2
SCHEMBL3912621 0.83 L3MBTL1 (0.46) KDM4ECNR1TSHRCYP1A2CYP2D6

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-20090209552-A1 Organic Compounds NOVARTIS AG 2009-08-20 US claimed
US-20090209552-A1 Organic Compounds NOVARTIS AG 2009-08-20 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-20090209552-A1 Organic Compounds SLCO1B3, SLCO1B1, SLC10A6 PTGDR2 1741/4885ALDH1A1 439/4885LMNA 3665/4885

“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.