SCHEMBL14239252

SCHEMBL14239252

Cc1cc(S(C)(=O)=O)cnc1C

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.36
CYP2A6 P11509 1/20 0.35
PTGS1 P23219 3/20 0.34
S100A9 P06702 1/20 0.34
MBOAT4 Q96T53 1/20 0.33
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ABCC4 O15439 1/20 0.33
ABCB11 O95342 1/20 0.33
PDE4D Q08499 1/20 0.33
MAPK14 Q16539 1/20 0.33
ENPP2 Q13822 1/20 0.32
PIK3C3 Q8NEB9 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
SCD O00767 1/20 0.31

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
SCHEMBL31028797 0.81 ALDH1A1 (0.38) CYP2A6LMNATDP1
SCHEMBL31028734 0.81 APLNR (0.42) PTGS2CYP2A6PTGS1
SCHEMBL2172509 0.81 S100A9 (0.36) PTGS2PTGS1S100A9LMNATDP1
SCHEMBL1641646 0.79 ALDH1A1 (0.41) PTGS2PTGS1S100A9LMNAABCC4
SCHEMBL17011383 0.79 NOS3 (0.52) LMNATDP1L3MBTL1
SCHEMBL12506988 0.79 PTGS2 (0.44) PTGS2PTGS1SCD
SCHEMBL17703477 0.79 S100A9 (0.44) PTGS2PTGS1S100A9LMNAMAPK14
SCHEMBL16139571 0.79 ALDH1A1 (0.41) PTGS2PTGS1S100A9LMNAABCC4
SCHEMBL3709553 0.79 ALDH1A1 (0.36) PTGS2PTGS1S100A9LMNA
SCHEMBL17177764 0.78 HRH4 (0.39) PTGS2PTGS1S100A9LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8921398-B2 N-cyclopropyl-N-piperidinyl-amide derivatives, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-30 US disclosed
US-8921398-B2 N-cyclopropyl-N-piperidinyl-amide derivatives, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-30 US disclosed
US-8912203-B2 6-(sulfonylaryl)pyrido[2,3-D]pyrimidin-7(8H)-ones for the treatment of CNS disorders AFRAXIS HOLDINGS, INC. (US) 2014-12-16 US disclosed
US-20140256756-A1 PIPERIDINYL-SUBSTITUTED LACTAMS AS GPR119 MODULATORS ARRAY BIOPHARMA, INC. 2014-09-11 US disclosed
US-8669271-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-11 US disclosed
US-20130252966-A1 6-(SULFONYLARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS AFRAXIS, INC. (US) 2013-09-26 US disclosed
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER AFRAXIS, INC. (US) 2013-06-20 US disclosed
US-20130143892-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF NEUROCRINE BIOSCIENCES, INC. (US) 2013-06-06 US disclosed
US-20130143892-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF NEUROCRINE BIOSCIENCES, INC. (US) 2013-06-06 US disclosed
WO-2013066869-A1 PIPERIDINYL-SUBSTITUTED LACTAMS AS GPR119 MODULATORS ARRAY BIOPHARMA INC. (US) 2013-05-10 WO disclosed
US-20120322784-A1 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-20 US disclosed
WO-2012168315-A1 SUBSTITUTED PIPERIDINES AS GPR119 MODULATORS FOR THE TREATMENT OF METABOLIC DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-13 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 (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-20140256756-A1 PIPERIDINYL-SUBSTITUTED LACTAMS AS GPR119 MODULATORS GPR119, GPR139, GLP1R PTGS2 1132/4885CYP2A6 2345/4885PTGS1 1434/4885
US-20120322784-A1 Compounds, pharmaceutical compositions and uses thereof GPR119, GPR3, MRGPRX2 PTGS2 1699/4885CYP2A6 758/4885PTGS1 1357/4885
US-20130252966-A1 6-(SULFONYLARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS PAK2, PAK6, PAK3 PTGS2 3256/4885CYP2A6 2468/4885PTGS1 3703/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 PTGS2 2744/4885CYP2A6 4812/4885PTGS1 2653/4885
US-20130143892-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF GPR119, GPBAR1, TACR1 PTGS2 678/4885CYP2A6 741/4885PTGS1 411/4885

“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.