SCHEMBL4077595

SCHEMBL4077595

CCC(=O)NNC(=O)CCN(C(=O)O)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 3/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 2/20 0.35
PKM P14618 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HTT P42858 1/20 0.32
GAA P10253 1/20 0.31
TSHR P16473 1/20 0.31
KDM5C P41229 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
PHF8 Q9UPP1 1/20 0.31
KDM2A Q9Y2K7 1/20 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
SCHEMBL4078966 0.81 MEN1 (0.32) MEN1KMT2AGAA
SCHEMBL16714884 0.78 KDM4E (0.43) ALDH1A1MAPTKDM4EL3MBTL1LMNA
SCHEMBL6050378 0.72 RECQL (0.34) L3MBTL1MEN1KMT2AHTTTSHR
SCHEMBL332512 0.72 CA12 (0.36) ALDH1A1L3MBTL1LMNAMEN1KMT2A
SCHEMBL25435994 0.71 MEN1 (0.55) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL8879365 0.70 MEN1 (0.38) ALDH1A1MAPTL3MBTL1LMNAMEN1
SCHEMBL11909248 0.69 MEN1 (0.33) L3MBTL1MEN1KMT2AHTT
SCHEMBL17849000 0.69 MEN1 (0.37) L3MBTL1MEN1KMT2AHTT
SCHEMBL10830752 0.69 CA12 (0.40) ALDH1A1MEN1KMT2ATSHR
SCHEMBL1169137 0.68 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1MAPTKDM4EPKM

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
US-7517995-B2 Thiazolyl-dihydro-cyclopentapyrazole BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-14 US disclosed
US-20070238746-A1 THIAZOLYL-DIHYDRO-CHINAZOLINE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-11 US disclosed
US-20070238730-A1 THIAZOLYL-DIHYDRO-CYCLOPENTAPYRAZOLE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-11 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 (2 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-20070238746-A1 THIAZOLYL-DIHYDRO-CHINAZOLINE CYP3A7, UGT2B7, UGT1A7 SMN1; SMN2 3842/4885ALDH1A1 165/4885MAPT 233/4885
US-20070238730-A1 THIAZOLYL-DIHYDRO-CYCLOPENTAPYRAZOLE REN, ROR1, RORB SMN1; SMN2 3392/4885ALDH1A1 115/4885MAPT 20/4885

“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.