SCHEMBL10987403

SCHEMBL10987403

Cc1ccc(SC(F)(F)F)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 1/20 0.40
TP53 P04637 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
HTR1A P08908 7/20 0.36
HTR3A P46098 7/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
PDE2A O00408 1/20 0.35
LMNA P02545 2/20 0.34
HPGD P15428 2/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
ALOX12 P18054 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL16707512 0.83 HSD17B10 (0.39) TP53TDP1SMN1; SMN2PDE2ALMNA
SCHEMBL900738 0.81 PDE2A (0.37) TDP1SMN1; SMN2PDE2ALMNAHTR2A
SCHEMBL16707555 0.81 SMN1; SMN2 (0.49) TP53TDP1SMN1; SMN2PDE2ALMNA
SCHEMBL900649 0.81 PDE2A (0.47) TP53PDE2ALMNAHPGDMEN1
SCHEMBL17349741 0.80 HAO1 (0.41) HAO1TP53TDP1HTR1AHTR3A
SCHEMBL9694900 0.79 ESR2 (0.37) SMN1; SMN2PDE2ALMNAMEN1GAA
SCHEMBL12828097 0.79 CYP3A4 (0.36) TP53HTR1AHTR3ASMN1; SMN2PDE2A
SCHEMBL28327977 0.79 KIF11 (0.33) TP53SMN1; SMN2PDE2ALMNAHPGD
SCHEMBL26197617 0.79 PTPN1 (0.34) TP53SMN1; SMN2PDE2ALMNAHPGD
SCHEMBL18856709 0.79 ALDH1A1 (0.47) TDP1SMN1; SMN2PDE2ALMNAMEN1

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
EP-1805158-B1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR KALYPSYS INC (US) 2018-06-27 EP disclosed
US-9647218-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2017-05-09 US disclosed
US-20150129849-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION 2015-05-14 US disclosed
US-7834004-B2 Sulfonyl-substituted bicyclic compounds as modulators of PPAR KALYPSYS, INC (US) 2010-11-16 US disclosed
US-20090264417-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR KALYPSYS, INC. (US) 2009-10-22 US disclosed
US-20090227599-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR KALYPSYS, INC. (US) 2009-09-10 US disclosed
US-7517884-B2 {5-[4-(4-Trifluoromethyl-phenyl)-piperazine-1-sulfonyl]-indan-2-yl}-acetic acid; peroxisome proliferator activated receptors modulator; antidiabetic, antiinflammatory agent; obesity, hyperinsulinemia, metabolic syndrome X, polycystic ovary syndrome, ischemia-associated organ injury, diabetes KALYPSYS INC. (US) 2009-04-14 US disclosed
US-4533777-A HALOALKYLATION OF A BENZENE RING USING CARBON TETRACHLORIDE AND HYDROFLUORIC ACID BAYER AKTIENGESELLSCHAFT (DE) 1985-08-06 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 (2 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-20090227599-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR PPARG, PPARA, PPARD HAO1 4442/4885TP53 1771/4885TDP1 3653/4885
US-20090264417-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR PPARG, PPARA, PPARD HAO1 4442/4885TP53 1771/4885TDP1 3653/4885

“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.