SCHEMBL2428512

SCHEMBL2428512

CC(C)(C)OC(=O)NCCNC(=S)Nc1ccc(O)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
KDM4C Q9H3R0 1/20 0.43
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
ACHE P22303 2/20 0.41
BACE1 P56817 2/20 0.41
MAPKAPK2 P49137 4/20 0.41
SIRT5 Q9NXA8 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.38
NQO2 P16083 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL2425405 0.82 ALDH1A1 (0.55) ALDH1A1GAACA1CA2MAPT
SCHEMBL1136944 0.82 CA12 (0.48) ALDH1A1GAACA1ACHEBACE1
SCHEMBL31606978 0.82 CA12 (0.48) ALDH1A1GAACA1ACHEBACE1
SCHEMBL5100819 0.79 ALDH1A1 (0.51) ALDH1A1GAACA1CA2MAPT
SCHEMBL31300043 0.79 CYP1A2 (0.58) ALDH1A1GAAMAPKAPK2MAPTKMT2A
SCHEMBL4401844 0.78 KMT2A (0.56) ALDH1A1GAAMAPTKMT2ASMN1; SMN2
SCHEMBL5097622 0.78 ALDH1A1 (0.50) ALDH1A1GAACA1CA2MAPT
SCHEMBL31300041 0.78 ALDH1A1 (0.59) ALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL6680791 0.77 NQO2 (0.44) ALDH1A1GAACA1CA2MAPT
SCHEMBL27761091 0.76 SMN1; SMN2 (0.58) ALDH1A1GAAKDM4CMAPTKMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110263550-A1 THERAPEUTIC AGENT FOR CHRONIC OBSTRUCTIVE PULMONARY DISEASE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-10-27 US disclosed
US-8012971-B2 Therapeutic agent for chronic obstructive pulmonary disease DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-09-06 US disclosed
US-20090131439-A1 Therapeutic agent for chronic obstructive pulmonary disease SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2009-05-21 US disclosed
EP-1875915-A1 THERAPEUTIC AGENT FOR CHRONIC OBSTRUCTIVE PULMONARY DISEASE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-01-09 EP 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-20090131439-A1 Therapeutic agent for chronic obstructive pulmonary disease CFTR, SCLY, ELANE ALDH1A1 2234/4885GAA 2258/4885KDM4C 3621/4885
US-20110263550-A1 THERAPEUTIC AGENT FOR CHRONIC OBSTRUCTIVE PULMONARY DISEASE CFTR, SCLY, ELANE ALDH1A1 2234/4885GAA 2258/4885KDM4C 3621/4885

“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.