SCHEMBL1472870

SCHEMBL1472870

CC1CN(c2cccc(OC(F)(F)F)c2)CC(C)N1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.52
GHSR Q92847 5/20 0.44
DHFR P00374 1/20 0.43
CASR P41180 6/20 0.43
FFAR4 Q5NUL3 1/20 0.42
ACACB O00763 1/20 0.42
PIM1 P11309 1/20 0.42
MLYCD O95822 1/20 0.41
PHGDH O43175 1/20 0.40
RXRA P19793 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40

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
SCHEMBL1472865 1.00 NOTUM (0.52) NOTUMGHSRDHFRCASRFFAR4
SCHEMBL8106701 0.85 NOTUM (0.55) NOTUMDHFRCASRFFAR4ACACB
SCHEMBL1471142 0.83 POLB (0.42) CASR
SCHEMBL1471144 0.83 POLB (0.42) CASR
Hydrochloric Acid SCHEMBL2072724 0.82 POLB (0.41) CASR
Hydrochloric Acid SCHEMBL2072726 0.82 POLB (0.41) CASR
SCHEMBL22209633 0.78 NOTUM (0.51) NOTUMDHFRCASRFFAR4ACACB
SCHEMBL22904399 0.77 NOTUM (0.53) NOTUMDHFRCASRFFAR4ACACB
SCHEMBL5272828 0.75 NOTUM (0.45) NOTUMGHSRCASRACACB
SCHEMBL2448998 0.74 ADRA2C (0.51) GHSR

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 10 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-7915253-B2 4-[2,6-Dimethyl-4-(4-trifluoromethoxy-phenyl)-piperazine-1-sulfonyl]-indan-2-carboxylic acid; peroxisome proliferator activated receptors modulator; antidiabetic, antiinflammatory agent; obesity, hyperinsulinemia, metabolic syndrome X, polycystic ovary syndrome, ischemia-associated organ injury KALYPSYS, INC (US) 2011-03-29 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-7494999-B2 Sulfonyl-substituted bicyclic compounds as modulators of PPAR KALYPSYS, INC (US) 2009-02-24 US disclosed
US-20090029971-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR KALYPSYS, INC. (US) 2009-01-29 US disclosed
US-20060205736-A1 Sulfonyl-substituted bicyclic compounds as modulators of PPAR KALYPSYS, INC. 2006-09-14 US disclosed
US-20060167012-A1 Sulfonyl-substituted bicyclic compounds as modulators of PPAR KALYPSYS, INC. 2006-07-27 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-20060167012-A1 Sulfonyl-substituted bicyclic compounds as modulators of PPAR PPARG, PPARA, PPARD NOTUM 409/4885GHSR 210/4885DHFR 800/4885
US-20090029971-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR PPARG, PPARA, PPARD NOTUM 409/4885GHSR 210/4885DHFR 800/4885
US-20090227599-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR PPARG, PPARA, PPARD NOTUM 409/4885GHSR 210/4885DHFR 800/4885
US-20060205736-A1 Sulfonyl-substituted bicyclic compounds as modulators of PPAR PPARG, PPARA, PPARD NOTUM 409/4885GHSR 210/4885DHFR 800/4885
US-20090264417-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR PPARG, PPARA, PPARD NOTUM 409/4885GHSR 210/4885DHFR 800/4885

“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.