SCHEMBL2116607

SCHEMBL2116607

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
CYP3A4 P08684 2/20 0.33
KMT2A Q03164 4/20 0.33
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 3/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TRPV1 Q8NER1 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CETP P11597 1/20 0.32
KCNJ6 P48051 1/20 0.32
KCNJ5 P48544 1/20 0.32

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
SCHEMBL2116591 0.87 PPARG (0.33) POLBCYP3A4KMT2AALDH1A1MEN1
SCHEMBL1029350 0.82 CYP3A4 (0.42) POLBCYP3A4KMT2AALDH1A1MEN1
SCHEMBL17601115 0.80 CYP3A4 (0.38) POLBCYP3A4KMT2AALDH1A1MEN1
SCHEMBL17257958 0.78 POLB (0.37) POLBCYP3A4KMT2AMEN1MAPT
SCHEMBL10999264 0.78 NR1H4 (0.34) CYP3A4CYP2D6SMN1; SMN2NPC1
SCHEMBL11001481 0.76 SMN1; SMN2 (0.49) POLBCYP3A4KMT2AALDH1A1MEN1
SCHEMBL2496442 0.76 KDR (0.49) ALDH1A1MAPTLMNANPSR1SMN1; SMN2
SCHEMBL2116021 0.75 MEN1 (0.37) KMT2AALDH1A1MEN1LMNASMN1; SMN2
SCHEMBL9143523 0.73 KDM4E (0.40) CYP3A4ALDH1A1MAPTLMNACYP2D6
SCHEMBL2472803 0.73 MEN1 (0.43) POLBCYP3A4KMT2AALDH1A1MEN1

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 POLB 3945/4885CYP3A4 1609/4885KMT2A 2219/4885

“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.