SCHEMBL3439026

SCHEMBL3439026

CC(C)(C)C(CC(=O)O)C1SC(Nc2ccccc2C(F)(F)F)=NC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.37
KMT2A Q03164 2/20 0.37
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 3/20 0.36
PTGS2 P35354 2/20 0.36
HPGD P15428 2/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
RAB9A P51151 1/20 0.36
GAA P10253 4/20 0.36
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CRHR1 P34998 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CASP3 P42574 1/20 0.35

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
SCHEMBL1605797 0.80 KMT2A (0.44) POLBKMT2AMAPK1ALDH1A1HPGD
SCHEMBL3439025 0.78 POLB (0.37) POLBKMT2AMAPK1ALDH1A1PTGS2
SCHEMBL1690363 0.76 KMT2A (0.43) POLBKMT2AMAPK1ALDH1A1PTGS2
SCHEMBL1605354 0.76 POLB (0.40) POLBKMT2AALDH1A1PTGS2AKR1C3
SCHEMBL14440290 0.75 KMT2A (0.46) POLBKMT2AMAPK1ALDH1A1AKR1C3
SCHEMBL1605316 0.72 KDM4E (0.42) POLBKMT2AMAPK1ALDH1A1RAB9A
SCHEMBL1604713 0.71 POLB (0.41) POLBKMT2AMAPK1ALDH1A1HPGD
SCHEMBL1605567 0.70 GAA (0.44) POLBKMT2AALDH1A1HPGDGAA
SCHEMBL1605456 0.70 ALDH1A1 (0.41) POLBKMT2AMAPK1ALDH1A1HPGD
SCHEMBL13998506 0.69 POLB (0.48) POLBKMT2AALDH1A1RAB9AGAA

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-7807700-B2 Inhibitors of 11-β-hydroxy steroid dehydrogenase type 1 AMGEN INC. (US) 2010-10-05 US disclosed
EP-1753736-B1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 AMGEN INC (US) 2008-12-17 EP disclosed
US-20080045503-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 AMGEN INC. 2008-02-21 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-20080045503-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 HSD11B1, HSD3B1, HSD17B1 POLB 639/4885KMT2A 3049/4885MAPK1 1674/4885

“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.