SCHEMBL9945364

SCHEMBL9945364

Cc1ccc(S(=O)(=O)OC(c2ccc3cc(-c4ccc(F)cc4)ccc3n2)C(C)C)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
CA12 O43570 4/20 0.36
CA2 P00918 4/20 0.36
AAK1 Q2M2I8 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
HSP90AA1 P07900 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
RORC P51449 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
DHODH Q02127 1/20 0.33

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
SCHEMBL9945355 0.72 AAK1 (0.45) AAK1NPC1RAB9ADHODHPIK3CA
SCHEMBL26326700 0.70 CA12 (0.60) MAPTLMNACA12CA2MEN1
SCHEMBL12232392 0.70 AAK1 (0.50) AAK1MEN1NPC1ALDH1A1HPGD
SCHEMBL14650775 0.66 APLNR (0.48) ALDH1A1GAA
SCHEMBL7635691 0.66 ACHE (0.42) MAPTLMNATP53MEN1ALDH1A1
SCHEMBL13629814 0.65 ACHE (0.59) LMNAKDM4EMEN1NPC1ALDH1A1
SCHEMBL26566338 0.65 ACHE (0.59) LMNAKDM4EMEN1NPC1ALDH1A1
SCHEMBL14779459 0.64 CA1 (0.43) CA2MEN1ALDH1A1KMT2AMMP1
SCHEMBL14779504 0.64 CA1 (0.46) CA2MEN1ALDH1A1KMT2AMMP1
SCHEMBL12190334 0.63 CYP1A2 (0.44) AAK1KDM4EMEN1NPC1ALDH1A1

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
EP-2651905-B1 METALLOENZYME INHIBITOR COMPOUNDS INNOCRIN PHARMACEUTICALS INC (US) 2017-07-19 EP disclosed
US-8669274-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2014-03-11 US disclosed
US-8669274-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2014-03-11 US disclosed
WO-2012082746-A2 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-06-21 WO disclosed
US-20120149729-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
US-20120149729-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-06-14 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-20120149729-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO MAPT 2507/4885LMNA 4266/4885TP53 2109/4885

“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.