SCHEMBL4347398

SCHEMBL4347398

O=C(COCC1COc2ccccc2N1S(=O)(=O)c1ccccc1C(F)(F)F)N1CCc2[nH]cnc2C1c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.34
POLB P06746 1/20 0.33
LMNA P02545 2/20 0.33
PKM P14618 1/20 0.33
AOC3 Q16853 2/20 0.33
NPC1 O15118 1/20 0.33
RIPK1 Q13546 1/20 0.30
PTGDR2 Q9Y5Y4 1/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL4344589 0.83 KCNQ1 (0.36) P2RX7POLBAOC3SMN1; SMN2ALDH1A1
SCHEMBL4345303 0.83 NPC1 (0.39) POLBLMNAAOC3NPC1SMN1; SMN2
SCHEMBL700177 0.79 NPC1 (0.43) POLBLMNAPKMNPC1SMN1; SMN2
SCHEMBL3454349 0.76 NPC1 (0.43) LMNAPKMAOC3NPC1SMN1; SMN2
SCHEMBL10246158 0.75 NPC1 (0.44) POLBLMNAPKMNPC1SMN1; SMN2
SCHEMBL4345405 0.73 HCRTR1 (0.36) P2RX7LMNAAOC3NPC1
SCHEMBL3442720 0.72 NPC1 (0.46) POLBLMNAPKMNPC1SMN1; SMN2
SCHEMBL3442722 0.72 NPC1 (0.41) POLBLMNAPKMNPC1PTGDR2
SCHEMBL4356188 0.72 AVPR1A (0.36) AOC3GAA
SCHEMBL13673252 0.71 NPC1 (0.46) LMNAPKMNPC1PTGDR2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268814-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-09-18 US claimed
US-20090275558-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2009-11-05 US claimed
US-8268814-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-09-18 US disclosed
US-20090275558-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2009-11-05 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-20090275558-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS BDKRB2, BDKRB1, TRPV1 P2RX7 243/4885POLB 4558/4885LMNA 2606/4885

“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.