SCHEMBL16634014

SCHEMBL16634014

CCC(c1ccc(OC(F)F)cc1)N(C(=O)O)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 4/20 0.41
PKM P14618 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ATM Q13315 1/20 0.39
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
ALOX15 P16050 1/20 0.37
GFER P55789 1/20 0.37
ADAM17 P78536 1/20 0.37

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
SCHEMBL16633288 0.88 NPSR1 (0.45) ALDH1A1MEN1KMT2ANPSR1
SCHEMBL16633048 0.82 CYP2C9 (0.41) HTTALDH1A1MEN1MAPTKMT2A
SCHEMBL16633588 0.80 ESR1 (0.43) ALOX15ALDH1A1MAPTLMNA
SCHEMBL2574635 0.79 CYP1A2 (0.38) MEN1KMT2A
SCHEMBL16633459 0.77 FFAR1 (0.46)
SCHEMBL6349734 0.75 TAS1R3 (0.43) L3MBTL1ALDH1A1MEN1KMT2ANPSR1
SCHEMBL16633307 0.74 ALDH1A1 (0.38) HDAC3HDAC1HDAC2ALDH1A1PDE2A
SCHEMBL17603763 0.73 BMP1 (0.43) L3MBTL1ALDH1A1KMT2ANPSR1
SCHEMBL16633980 0.73 ALDH1A1 (0.41) ALDH1A1PDE2A
SCHEMBL11159644 0.72 AKR1C3 (0.55) PKML3MBTL1ATMHTTHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2848618-B1 NITROGENATED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2018-03-14 EP disclosed
US-9469637-B2 Nitrogenated heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-10-18 US disclosed
US-20150105373-A1 NITROGENATED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-04-16 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-20150105373-A1 NITROGENATED HETEROCYCLIC COMPOUND PDE2A, PDE5A, PDE3A DAGLA 2205/4885PKM 3145/4885L3MBTL1 4442/4885

“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.