SCHEMBL1470337

SCHEMBL1470337

CC1(C)CN(c2ccc(C(F)(F)F)cn2)CCN1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EIF2AK4 Q9P2K8 1/20 0.55
HDAC1 Q13547 1/20 0.47
MAPT P10636 5/20 0.46
KDM4E B2RXH2 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.45
ABL1 P00519 1/20 0.45
LMNA P02545 1/20 0.45
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
CXCR3 P49682 1/20 0.43
POLB P06746 1/20 0.42
GPR119 Q8TDV5 1/20 0.42
SMO Q99835 1/20 0.42

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
Hydrochloric Acid SCHEMBL28966651 0.82 EIF2AK4 (0.47) EIF2AK4HDAC1KDM4EALDH1A1CXCR3
SCHEMBL17513741 0.79 EIF2AK4 (0.47) EIF2AK4MAPTALDH1A1
SCHEMBL231823 0.78 ADRB1 (0.60) MAPTKDM4ESMN1; SMN2GAAHPGD
SCHEMBL30101389 0.78 ADRB1 (0.60) MAPTKDM4ESMN1; SMN2GAAHPGD
SCHEMBL17035908 0.78 ADRB1 (0.60) MAPTKDM4ESMN1; SMN2GAAHPGD
Hydrochloric Acid SCHEMBL31368796 0.78 HDAC1 (0.50) EIF2AK4HDAC1MAPTKDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL30686515 0.78 HDAC1 (0.50) EIF2AK4HDAC1MAPTKDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL9530917 0.77 ADRB1 (0.59) MAPTKDM4ESMN1; SMN2GAAHPGD
Hydrochloric Acid SCHEMBL9394896 0.77 ADRB1 (0.59) MAPTKDM4ESMN1; SMN2GAAHPGD
SCHEMBL2227463 0.77 JAK2 (0.48) HDAC1KDM4EALDH1A1GPR119SMO

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 EIF2AK4 2151/4885HDAC1 413/4885MAPT 4471/4885
US-20090029971-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR PPARG, PPARA, PPARD EIF2AK4 2151/4885HDAC1 413/4885MAPT 4471/4885
US-20090227599-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR PPARG, PPARA, PPARD EIF2AK4 2151/4885HDAC1 413/4885MAPT 4471/4885
US-20060205736-A1 Sulfonyl-substituted bicyclic compounds as modulators of PPAR PPARG, PPARA, PPARD EIF2AK4 2151/4885HDAC1 413/4885MAPT 4471/4885
US-20090264417-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR PPARG, PPARA, PPARD EIF2AK4 2151/4885HDAC1 413/4885MAPT 4471/4885

“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.