SCHEMBL429160

SCHEMBL429160

CCOC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)nc1OCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 1/20 0.40
TSHR P16473 1/20 0.39
L3MBTL1 Q9Y468 4/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CYP1A2 P05177 3/20 0.36
MAPK1 P28482 3/20 0.36
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
MAPT P10636 3/20 0.36
LMNA P02545 2/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL425892 0.90 LMNA (0.38) UCHL1L3MBTL1MAPK1ALDH1A1SMN1; SMN2
SCHEMBL423702 0.76 PDCD1 (0.43) UCHL1TSHRL3MBTL1CA12CA1
SCHEMBL2529054 0.75 F10 (0.44) UCHL1L3MBTL1CYP1A2ALDH1A1CYP2C9
SCHEMBL2529475 0.74 F10 (0.44) UCHL1L3MBTL1CYP1A2ALDH1A1CYP2C9
SCHEMBL1313709 0.74 TSHR (0.49) TSHRL3MBTL1CA12CA1CA2
SCHEMBL22408213 0.73 HIF1A (0.45) UCHL1TSHRCA12CA1CA2
SCHEMBL424710 0.73 L3MBTL1 (0.48) TSHRL3MBTL1CA12CA1CA2
SCHEMBL5820624 0.73 ALDH1A1 (0.49) TSHRL3MBTL1CA12CA1CA2
SCHEMBL19599555 0.72 UCHL1 (0.46) UCHL1TSHRCA12CA1CA2
SCHEMBL3375915 0.72 TSHR (0.47) UCHL1TSHRL3MBTL1MAPK1ALDH1A1

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-2417121-A1 4, 5-DIHYDRO-1H-PYRAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USES Pfizer Inc. (US) 2012-02-15 EP disclosed
US-20120022058-A1 4,5-DIHYDRO-1H-PYRAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USES PFIZER INC. 2012-01-26 US disclosed
WO-2010116282-A1 4, 5-DIHYDRO-LH-PYRAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USES PFIZER INC. (US) 2010-10-14 WO 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-20120022058-A1 4,5-DIHYDRO-1H-PYRAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USES NR3C2, REN, AGTR1 UCHL1 4868/4885TSHR 686/4885L3MBTL1 4869/4885

“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.