SCHEMBL4517221

SCHEMBL4517221

O=S(=O)(N1CCN(c2ccc(C(F)(F)F)cc2)CC1)N1CCc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
ATM Q13315 1/20 0.45
GCK P35557 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
GAA P10253 2/20 0.43
ALDH1A1 P00352 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.42
CA12 O43570 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
GCKR Q14397 1/20 0.41
DRD3 P35462 2/20 0.41
HTR6 P50406 2/20 0.41
DRD2 P14416 1/20 0.41

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
SCHEMBL2959773 0.78 KMT2A (0.51) LMNAATMMEN1KMT2ATSHR
SCHEMBL4700945 0.73 CA2 (0.54) HTTGCKGAAALDH1A1CA12
SCHEMBL6242244 0.73 CA2 (0.54) HTTGCKGAACA12CA2
SCHEMBL2156809 0.72 KDM4E (0.55) MAPTHTTGCKMEN1KMT2A
SCHEMBL4698660 0.72 CA2 (0.56) HTTGCKGAACA12CA2
SCHEMBL21929776 0.72 SRD5A1 (0.44) MAPTLMNAATMMEN1KMT2A
SCHEMBL4503543 0.72 HTT (0.44) LMNAHTTGCKMEN1KMT2A
SCHEMBL31055582 0.71 KMT2A (0.51) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL30741645 0.71 ALDH1A1 (0.52) MAPTLMNAHTTMEN1KMT2A
SCHEMBL28650484 0.71 CA12 (0.65) MAPTCA12CA2CA9DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20060205736-A1 Sulfonyl-substituted bicyclic compounds as modulators of PPAR KALYPSYS, INC. 2006-09-14 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 (1 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-20060205736-A1 Sulfonyl-substituted bicyclic compounds as modulators of PPAR PPARG, PPARA, PPARD MAPT 4471/4885LMNA 2528/4885HTT 1602/4885

“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.