SCHEMBL1099004

SCHEMBL1099004

CCCNc1nc(-c2ccc(C(F)(F)F)cc2)c(C)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
GAA P10253 2/20 0.50
MAPT P10636 1/20 0.50
RAB9A P51151 1/20 0.50
CDC25B P30305 4/20 0.43
DUSP3 P51452 4/20 0.43
PTPN1 P18031 3/20 0.43
POLB P06746 1/20 0.43
DHODH Q02127 1/20 0.42
MAOA P21397 5/20 0.41
MAOB P27338 5/20 0.41
PKM P14618 1/20 0.40
ALPL P05186 1/20 0.40
ALPI P09923 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPC1 O15118 1/20 0.39
PPARD Q03181 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
SCHEMBL1745496 0.81 MAOA (0.58) ALDH1A1GAAMAPTRAB9APTPN1
SCHEMBL8188518 0.75 ALDH1A1 (0.56) ALDH1A1GAAMAPTRAB9ANPC1
SCHEMBL1108681 0.74 ALDH1A1 (0.56) ALDH1A1GAAMAPTRAB9APKM
SCHEMBL27834214 0.73 MAOA (0.60) ALDH1A1MAPTRAB9APTPN1MAOA
Bromide SCHEMBL1744987 0.73 ALDH1A1 (0.54) ALDH1A1GAAMAPTRAB9APKM
SCHEMBL16217976 0.71 PPARD (0.48) ALDH1A1GAAMAPTMAOBNPC1
SCHEMBL96684 0.69 RARA (0.61) ALDH1A1GAAMAPTDHODHNPC1
SCHEMBL4268165 0.69 MEN1 (0.59) MAPTCYP1A2
SCHEMBL28276133 0.68 DHODH (0.45) ALDH1A1GAAMAPTDHODHCYP1A2
SCHEMBL8066329 0.68 ALDH1A1 (0.56) ALDH1A1MAPTRAB9AMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1916234-B1 CYCLOPROPANECARBOXYLIC ACID COMPOUND TAKEDA PHARMACEUTICAL (JP) 2014-11-12 EP disclosed
US-8153694-B2 Cyclopropanecarboxylic acid compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-10 US disclosed
US-20100144806-A1 Cyclopropanecarboxylic Acid Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-10 US disclosed
EP-1916234-A1 CYCLOPROPANECARBOXYLIC ACID COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-04-30 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-20100144806-A1 Cyclopropanecarboxylic Acid Compound GPR65, GPR34, GPR68 ALDH1A1 1309/4885GAA 3673/4885MAPT 2525/4885

“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.