SCHEMBL15035938

SCHEMBL15035938

CC(C)c1ccc(S(C)(=O)=O)cc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.47
NR1H3 Q13133 5/20 0.47
NR1H2 P55055 4/20 0.47
RORC P51449 2/20 0.47
HRH4 Q9H3N8 1/20 0.45
NOTUM Q6P988 1/20 0.43
PTGS2 P35354 4/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
PTGS1 P23219 1/20 0.39
LRRK2 Q5S007 1/20 0.39
CCR2 P41597 1/20 0.37

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
SCHEMBL28766217 0.87 KIF11 (0.45) KIF11NR1H3NR1H2RORCHRH4
SCHEMBL12406429 0.85 RORC (0.49) KIF11NR1H3NR1H2RORCNOTUM
SCHEMBL13122921 0.85 KIF11 (0.46) KIF11RORCNOTUMPTGS2PDE3B
SCHEMBL13995391 0.84 KIF11 (0.43) KIF11NR1H3NR1H2RORCHRH4
SCHEMBL19117614 0.82 RORC (0.44) KIF11NR1H3NR1H2RORCNOTUM
SCHEMBL16849132 0.81 AKR1C3 (0.39) NR1H3NR1H2RORCPTGS2
SCHEMBL21028254 0.80 SMN1; SMN2 (0.50) KIF11RORCNOTUMCCR2
SCHEMBL21028378 0.79 RORC (0.45) KIF11RORCNOTUMPDE3BPDE3A
SCHEMBL26812067 0.77 LMNA (0.43) HRH4PTGS2
SCHEMBL14242830 0.77 KIF11 (0.51) KIF11NR1H3NR1H2HRH4PTGS2

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
WO-2017175066-A1 HETEROCYCLIC GPR119 AGONIST COMPOUNDS MANKIND PHARMA LTD. (IN) 2017-10-12 WO 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-8754226-B2 Piperidinyl-substituted lactams as GPR119 modulators ARRAY BIOPHARMA INC. (US) 2014-06-17 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-20130184257-A1 PIPERIDINYL-SUBSTITUTED LACTAMS AS GPR119 MODULATORS ARRAY BIOPHARMA, INC. 2013-07-18 US disclosed
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER AFRAXIS, INC. (US) 2013-06-20 US disclosed
US-20130158009-A1 PIPERIDINYL-SUBSTITUTED LACTAMS AS GPR119 MODULATORS ARRAY BIOPHARMA, INC. 2013-06-20 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 (4 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-20130158009-A1 PIPERIDINYL-SUBSTITUTED LACTAMS AS GPR119 MODULATORS GPR119, GPR139, GPR39 KIF11 4563/4885NR1H3 93/4885NR1H2 60/4885
US-20130252966-A1 6-(SULFONYLARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS PAK2, PAK6, PAK3 KIF11 1873/4885NR1H3 3251/4885NR1H2 3368/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 KIF11 472/4885NR1H3 4210/4885NR1H2 4230/4885
US-20130184257-A1 PIPERIDINYL-SUBSTITUTED LACTAMS AS GPR119 MODULATORS GPR119, GPR139, GPR180 KIF11 4623/4885NR1H3 83/4885NR1H2 48/4885

“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.