SCHEMBL335937

SCHEMBL335937

Fc1cc2sc(Cl)nc2c(F)c1F

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.61
LMNA P02545 2/20 0.61
ILK Q13418 1/20 0.43
RAB9A P51151 5/20 0.43
NPC1 O15118 1/20 0.43
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
POLB P06746 2/20 0.38
MAPT P10636 2/20 0.34
PKM P14618 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.31

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
SCHEMBL28293356 0.79 ALDH1A1 (0.66) ALDH1A1LMNAILKRAB9ANPC1
SCHEMBL3071959 0.78 ALDH1A1 (0.63) ALDH1A1LMNAILKRAB9ANPC1
SCHEMBL5497048 0.76 ALDH1A1 (0.61) ALDH1A1LMNAILKRAB9ANPC1
SCHEMBL21753703 0.76 ALDH1A1 (1.00) ALDH1A1LMNAILKRAB9ANPC1
SCHEMBL1748249 0.76 RAB9A (0.56) ALDH1A1LMNARAB9ANPC1KMT2A
SCHEMBL23290946 0.76 ALDH1A1 (0.43) ALDH1A1LMNARAB9ANPC1KMT2A
SCHEMBL1748298 0.76 ALDH1A1 (0.43) ALDH1A1LMNARAB9ANPC1KMT2A
SCHEMBL3829665 0.76 ALDH1A1 (0.61) ALDH1A1LMNAILKRAB9ANPC1
SCHEMBL12210694 0.73 NSD1 (0.39) ALDH1A1LMNARAB9ANPC1KMT2A
SCHEMBL8331402 0.72 ALDH1A1 (0.43) ALDH1A1LMNARAB9ANPC1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101296914-B Derivatives with PPAR agonist activity SHIONOGI & CO 2012-07-18 CN disclosed
US-8097610-B2 Derivative having PPAR agonistic activity SHIONOGI & CO., LTD. (JP) 2012-01-17 US disclosed
US-20090286974-A1 Derivative having ppar agonistic activity SHIONOGI & CO., LTD. (JP) 2009-11-19 US disclosed
CN-101296914-A Derivatives with PPAR agonist activity SHIONOGI & CO (JP) 2008-10-29 CN disclosed
EP-1939189-A1 DERIVATIVE HAVING PPAR AGONISTIC ACTIVITY SHIONOGI & CO., LTD. (JP) 2008-07-02 EP 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-20090286974-A1 Derivative having ppar agonistic activity PPARD, PPARA, PPARG ALDH1A1 1821/4885LMNA 2761/4885ILK 4840/4885

“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.