SCHEMBL14978748

SCHEMBL14978748

Cc1ccc(S(=O)(=O)C(C)C)cc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 3/20 0.41
PSEN2 P49810 3/20 0.41
APH1B Q8WW43 3/20 0.41
NCSTN Q92542 3/20 0.41
APH1A Q96BI3 3/20 0.41
PSENEN Q9NZ42 3/20 0.41
BRD1 O95696 1/20 0.40
BRPF1 P55201 1/20 0.40
PTGS2 P35354 3/20 0.39
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PTGS1 P23219 1/20 0.38
ALDH3A1 P30838 1/20 0.38
PTGDR2 Q9Y5Y4 2/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
GABRA2 P47869 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL9963190 0.84 KMT2A (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12180488 0.82 LMNA (0.57) LMNATDP1PTGDR2
SCHEMBL4126980 0.79 POLB (0.48) BRD1BRPF1PTGS2LMNATDP1
SCHEMBL15794097 0.79 IDO1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16022234 0.79 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20149227 0.79 CA1 (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3757908 0.78 PTGS2 (0.54) BRD1BRPF1PTGS2ALDH3A1
SCHEMBL24176361 0.77 LMNA (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1370542 0.77 LMNA (0.38) LMNATDP1PTGDR2CA12CA1
SCHEMBL1755240 0.77 FLT1 (0.43) PTGS2LMNATDP1PTGS1PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150259352-A1 Chemical Compounds PFIZER LTD (GB) 2015-09-17 US disclosed
US-20150105396-A1 Chemical Compounds PFIZER LTD (GB) 2015-04-16 US disclosed
US-8952008-B2 Chemical compounds PFIZER LIMITED (GB) 2015-02-10 US disclosed
US-20140309226-A1 PIPERIDINYL-SUBSTITUTED CYCLIC UREAS AS GPR119 MODULATORS ARRAY BIOPHARMA, INC. 2014-10-16 US disclosed
US-20140256756-A1 PIPERIDINYL-SUBSTITUTED LACTAMS AS GPR119 MODULATORS ARRAY BIOPHARMA, INC. 2014-09-11 US disclosed
US-20140171435-A1 Chemical Compounds PFIZER LIMITED (GB) 2014-06-19 US disclosed
WO-2014091368-A1 IMIDAZOPYRIDAZINE DERIVATIVES AS GABAA RECEPTOR MODULATORS PFIZER LIMITED (GB) 2014-06-19 WO disclosed
WO-2013074641-A1 PIPERIDINYL- SUBSTITUTED CYCLIC UREAS AS GPR119 MODULATORS ARRAY BIOPHARMA INC. (US) 2013-05-23 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 PSEN1 1352/4885PSEN2 642/4885APH1B 1096/4885
US-20140309226-A1 PIPERIDINYL-SUBSTITUTED CYCLIC UREAS AS GPR119 MODULATORS GPR119, UTS2R, GPR139 PSEN1 2448/4885PSEN2 1277/4885APH1B 3366/4885
US-20150259352-A1 Chemical Compounds GABRA5, GABRA4, GABRA3 PSEN1 3341/4885PSEN2 3926/4885APH1B 4222/4885
US-20150105396-A1 Chemical Compounds GABRA5, GABRA4, GABRA3 PSEN1 3341/4885PSEN2 3926/4885APH1B 4222/4885
US-20140171435-A1 Chemical Compounds GABRA5, GABRA4, GABRA3 PSEN1 3341/4885PSEN2 3926/4885APH1B 4222/4885

“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.