SCHEMBL13615019

SCHEMBL13615019

CC(C)(C)c1ccc(NS(=O)(=O)c2cccc(Cl)c2Cl)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.62
ALDH1A1 P00352 4/20 0.52
PTGES2 Q9H7Z7 2/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
GHSR Q92847 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPT P10636 1/20 0.50
CYP2C19 P33261 1/20 0.50
UQCRB P14927 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
SGK1 O00141 3/20 0.49
LMNA P02545 2/20 0.49
THRB P10828 1/20 0.49
HPGD P15428 1/20 0.49
RORA P35398 1/20 0.49
HSD11B1 P28845 1/20 0.49
CCR4 P51679 1/20 0.48

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
SCHEMBL13852828 0.88 PGR (0.61) PGRALDH1A1MEN1KMT2ACYP1A2
SCHEMBL13875335 0.84 PGR (0.65) PGRALDH1A1PTGES2MEN1KMT2A
SCHEMBL5567757 0.84 HSD11B1 (0.59) PGRALDH1A1RORAHSD11B1
SCHEMBL10455160 0.82 PGR (0.75) PGRALDH1A1PTGES2GHSRSGK1
SCHEMBL17483805 0.82 PGR (0.62) PGRALDH1A1PTGES2MEN1KMT2A
SCHEMBL95664 0.81 PGR (0.65) PGRALDH1A1PTGES2MEN1KMT2A
SCHEMBL13852832 0.81 ALDH1A1 (0.55) PGRALDH1A1PTGES2MEN1KMT2A
SCHEMBL13629279 0.81 PGR (0.60) PGRALDH1A1PTGES2MEN1KMT2A
SCHEMBL14018755 0.81 ALDH1A1 (0.62) PGRALDH1A1PTGES2MEN1KMT2A
SCHEMBL13852794 0.79 MEN1 (0.44) PGRALDH1A1PTGES2MEN1KMT2A

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-10875852-B2 Heteroaromatic compounds as BTK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-12-29 US disclosed
US-20190112302-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2019-04-18 US disclosed
US-20170320867-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2017-11-09 US disclosed
US-20090275593-A1 3 Substituted N-(aryl- or heteroaryl)-pyrazolo[1,5-a]pyrimidines as Kinase Inhibitors NOVARTIS AG 2009-11-05 US disclosed
US-20090118277-A1 3 Unsubstituted N-(aryl- or heteroaryl)-pyrazolo[1,5-a]pyrimidines as Kinase Inhibitors NOVARTIS AG 2009-05-07 US disclosed
US-20090118277-A1 3 Unsubstituted N-(aryl- or heteroaryl)-pyrazolo[1,5-a]pyrimidines as Kinase Inhibitors NOVARTIS AG 2009-05-07 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 (5 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-20090118277-A1 3 Unsubstituted N-(aryl- or heteroaryl)-pyrazolo[1,5-a]pyrimidines as Kinase Inhibitors TIE1, TEK, MATK PGR 1506/4885ALDH1A1 2057/4885PTGES2 547/4885
US-20170320867-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BTK, SYK, LCK PGR 1252/4885ALDH1A1 3329/4885PTGES2 2804/4885
US-20090275593-A1 3 Substituted N-(aryl- or heteroaryl)-pyrazolo[1,5-a]pyrimidines as Kinase Inhibitors TIE1, TEK, MATK PGR 1648/4885ALDH1A1 2121/4885PTGES2 841/4885
US-10875852-B2 Heteroaromatic compounds as BTK inhibitors BTK, SYK, LCK PGR 1252/4885ALDH1A1 3329/4885PTGES2 2804/4885
US-20190112302-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BTK, SYK, LCK PGR 1252/4885ALDH1A1 3329/4885PTGES2 2804/4885

“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.