SCHEMBL1471033

SCHEMBL1471033

CC1(C)CNCCN1c1ccc(C(F)(F)F)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
KDM4E B2RXH2 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 2/20 0.41
APAF1 O14727 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HDAC11 Q96DB2 2/20 0.41
CXCR3 P49682 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.40
POLB P06746 1/20 0.40
ABL1 P00519 1/20 0.40
LMNA P02545 1/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
MAOB P27338 1/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL9893003 0.79 CNR1 (0.51) MAPTKDM4ESMN1; SMN2ALDH1A1APAF1
SCHEMBL6912810 0.77 KDM4E (0.47) KDM4EALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL2225995 0.76 KDM4E (0.46) KDM4EALDH1A1L3MBTL1
SCHEMBL231823 0.75 ADRB1 (0.60) MAPTKDM4ESMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL17035908 0.75 ADRB1 (0.60) MAPTKDM4ESMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL30101389 0.75 ADRB1 (0.60) MAPTKDM4ESMN1; SMN2ALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL9394896 0.74 ADRB1 (0.59) MAPTKDM4ESMN1; SMN2ALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL9530917 0.74 ADRB1 (0.59) MAPTKDM4ESMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL18436688 0.74 SMO (0.39) MAPTKDM4ESMN1; SMN2ALDH1A1HDAC11
SCHEMBL1470337 0.73 EIF2AK4 (0.55) MAPTKDM4ESMN1; SMN2ALDH1A1CXCR3

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 15 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
CN-101421258-B Sulfonyl-substituted bicyclic compounds as PPAR modulators KALYPSYS INC 2013-08-21 CN 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
CN-101421258-A Sulfonyl-substituted bicyclic compounds as PPAR modulators KALYSPSYS INC (US) 2009-04-29 CN 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
CN-101374813-A Arylsulfonamide and sulfonyl compounds as PPAR modulators and methods of treating metabolic disorders KALYPSYS INC (US) 2009-02-25 CN 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
EP-1805158-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR Kalypsys, Inc. (US) 2007-07-11 EP 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
WO-2006055187-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR KALYPSYS, INC. (US) 2006-05-26 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-20060167012-A1 Sulfonyl-substituted bicyclic compounds as modulators of PPAR PPARG, PPARA, PPARD MAPT 4471/4885KDM4E 3245/4885SMN1; SMN2 2454/4885
US-20090029971-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR PPARG, PPARA, PPARD MAPT 4471/4885KDM4E 3245/4885SMN1; SMN2 2454/4885
US-20090227599-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR PPARG, PPARA, PPARD MAPT 4471/4885KDM4E 3245/4885SMN1; SMN2 2454/4885
US-20060205736-A1 Sulfonyl-substituted bicyclic compounds as modulators of PPAR PPARG, PPARA, PPARD MAPT 4471/4885KDM4E 3245/4885SMN1; SMN2 2454/4885
US-20090264417-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR PPARG, PPARA, PPARD MAPT 4471/4885KDM4E 3245/4885SMN1; SMN2 2454/4885

“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.