SCHEMBL2116591

SCHEMBL2116591

CC(C)(C)N(C(=O)O)c1ccc(Cl)c(CBr)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.33
CYP3A4 P08684 2/20 0.33
ALDH1A1 P00352 3/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2C19 P33261 2/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
NPC1 O15118 1/20 0.32
ALOX12 P18054 1/20 0.32
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL10999264 0.88 NR1H4 (0.34) PPARGCYP3A4CYP2D6NPC1SMN1; SMN2
SCHEMBL2116607 0.87 POLB (0.35) CYP3A4ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL1029350 0.81 CYP3A4 (0.42) PPARGCYP3A4ALDH1A1CYP1A2CYP2D6
SCHEMBL17601115 0.78 CYP3A4 (0.38) CYP3A4ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL17257958 0.77 POLB (0.37) PPARGCYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL11001481 0.75 SMN1; SMN2 (0.49) CYP3A4ALDH1A1CYP2C19KMT2AMEN1
SCHEMBL2496442 0.75 KDR (0.49) ALDH1A1LMNAMAPTNPSR1SMN1; SMN2
SCHEMBL19859079 0.74 CES2 (0.42) CYP3A4ALDH1A1CYP2C19KMT2AMEN1
SCHEMBL2116021 0.74 MEN1 (0.37) ALDH1A1KMT2AMEN1LMNANPC1
SCHEMBL16738392 0.73 REN (0.35) PPARGCYP3A4ALDH1A1KMT2AMEN1

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-8524750-B2 (Pyrazol-3-yl)-1,3,4-thiadiazol-2-amine and (pyrazol-3-yl)-1,3,4-thiazol-2-amine compounds GLAXO GROUP LIMITED (GB) 2013-09-03 US disclosed
EP-2419426-B1 (PYRAZOL-3-YL)-1,3,4-THIADIAZOL-2-AMINE AND (PYRAZOL-3-YL)-1,3,4-THIAZOL-2-AMINE COMPOUNDS GLAXO GROUP LTD (GB) 2013-08-14 EP disclosed
US-20120095064-A1 (PYRAZOL-3-YL)-1,3,4-THIADIAZOL-2-AMINE AND (PYRAZOL-3-YL)-1,3,4-THIAZOL-2-AMINE COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-04-19 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-20120095064-A1 (PYRAZOL-3-YL)-1,3,4-THIADIAZOL-2-AMINE AND (PYRAZOL-3-YL)-1,3,4-THIAZOL-2-AMINE COMPOUNDS H1-3, CHRM2, TBL3 PPARG 737/4885CYP3A4 1609/4885ALDH1A1 2718/4885

“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.