SCHEMBL1494935

SCHEMBL1494935

O=C(Nc1ccc(F)cc1)c1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RORC P51449 6/20 0.72
MAPT P10636 8/20 0.70
MEN1 O00255 5/20 0.70
KMT2A Q03164 5/20 0.70
TP53 P04637 4/20 0.70
SMN1; SMN2 Q16637 2/20 0.64
POLB P06746 2/20 0.62
NR3C1 P04150 1/20 0.62
AR P10275 1/20 0.62
MCL1 Q07820 1/20 0.61

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
SCHEMBL18392354 0.84 MCL1 (0.76) RORCMAPTMEN1KMT2ATP53
SCHEMBL30076604 0.82 MCL1 (0.86) RORCMAPTMEN1KMT2ATP53
SCHEMBL15101435 0.82 MCL1 (0.86) RORCMAPTMEN1KMT2ATP53
SCHEMBL30015188 0.81 CPT1A (0.74) RORCNR3C1AR
SCHEMBL3570983 0.81 CPT1A (0.74) RORCNR3C1AR
SCHEMBL29979265 0.81 MAPT (0.80) RORCMAPTMEN1KMT2ATP53
SCHEMBL10187026 0.81 MAPT (0.80) RORCMAPTMEN1KMT2ATP53
SCHEMBL5022279 0.81 RORC (0.85) RORCMAPTTP53
SCHEMBL27180835 0.80 MAPT (0.81) RORCMAPTMEN1KMT2ATP53
SCHEMBL1494910 0.80 MCL1 (0.64) MAPTMEN1KMT2ATP53SMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110053915-A1 HETEROCYCLIC INHIBITORS OF AN Hh-SIGNAL CASCADE, MEDICINAL COMPOSITIONS BASED THEREON AND METHODS FOR TREATING DISEASES CAUSED BY THE ABERRANT ACTIVITY OF AN Hh-SIGNAL SYSTEM ALLA CHEM, LLC (US) 2011-03-03 US claimed
US-8486945-B2 Heterocyclic inhibitors of an Hh-signal cascade, medicinal compositions based thereon and methods for treating diseases caused by the aberrant activity of an Hh-signal system Ivachtchenko, Alexandre Vasilievich (US) 2013-07-16 US disclosed
US-8486945-B2 Heterocyclic inhibitors of an Hh-signal cascade, medicinal compositions based thereon and methods for treating diseases caused by the aberrant activity of an Hh-signal system Ivachtchenko, Alexandre Vasilievich (US) 2013-07-16 US disclosed
US-20110053915-A1 HETEROCYCLIC INHIBITORS OF AN Hh-SIGNAL CASCADE, MEDICINAL COMPOSITIONS BASED THEREON AND METHODS FOR TREATING DISEASES CAUSED BY THE ABERRANT ACTIVITY OF AN Hh-SIGNAL SYSTEM ALLA CHEM, LLC (US) 2011-03-03 US disclosed
US-20110053915-A1 HETEROCYCLIC INHIBITORS OF AN Hh-SIGNAL CASCADE, MEDICINAL COMPOSITIONS BASED THEREON AND METHODS FOR TREATING DISEASES CAUSED BY THE ABERRANT ACTIVITY OF AN Hh-SIGNAL SYSTEM ALLA CHEM, LLC (US) 2011-03-03 US disclosed
US-20110053915-A1 HETEROCYCLIC INHIBITORS OF AN Hh-SIGNAL CASCADE, MEDICINAL COMPOSITIONS BASED THEREON AND METHODS FOR TREATING DISEASES CAUSED BY THE ABERRANT ACTIVITY OF AN Hh-SIGNAL SYSTEM ALLA CHEM, LLC (US) 2011-03-03 US disclosed
WO-2009077956-A2 HETEROCYCLIC INHIBITORS OF AN Hh-SIGNAL CASCADE, MEDICINAL COMPOSITIONS BASED THEREON AND METHODS FOR TREATING DISEASES CAUSED BY THE ABERRANT ACTIVITY OF AN Hh-SIGNAL SYSTEM ALLA CHEM, LLC (US) 2009-06-25 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-20110053915-A1 HETEROCYCLIC INHIBITORS OF AN Hh-SIGNAL CASCADE, MEDICINAL COMPOSITIONS BASED THEREON AND METHODS FOR TREATING DISEASES CAUSED BY THE ABERRANT ACTIVITY OF AN Hh-SIGNAL SYSTEM SHH, SMO, GLI1 RORC 71/4885MAPT 3985/4885MEN1 2949/4885

“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.