SCHEMBL2425405

SCHEMBL2425405

CC(C)(C)OC(=O)NCCNC(=S)Nc1cccc(F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
MAPT P10636 4/20 0.55
LMNA P02545 3/20 0.55
GAA P10253 4/20 0.52
NPSR1 Q6W5P4 2/20 0.52
POLB P06746 1/20 0.52
MAPK1 P28482 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
EPHX2 P34913 1/20 0.49
IDO1 P14902 1/20 0.48
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL4401844 0.84 KMT2A (0.56) ALDH1A1MAPTLMNAGAANPSR1
SCHEMBL2428512 0.82 ALDH1A1 (0.46) ALDH1A1MAPTGAAMAPK1KMT2A
SCHEMBL5474962 0.81 MEN1 (0.56) ALDH1A1MAPTGAANPSR1POLB
SCHEMBL5100819 0.80 ALDH1A1 (0.51) ALDH1A1MAPTLMNAGAAPOLB
SCHEMBL1070964 0.80 ALDH1A1 (0.60) ALDH1A1MAPTLMNAGAANPSR1
SCHEMBL4392250 0.80 KMT2A (0.54) ALDH1A1MAPTLMNAGAANPSR1
SCHEMBL4396662 0.80 KMT2A (0.54) ALDH1A1MAPTLMNAGAANPSR1
SCHEMBL5097622 0.79 ALDH1A1 (0.50) ALDH1A1MAPTLMNAGAAPOLB
SCHEMBL1258720 0.79 ALDH1A1 (0.53) ALDH1A1MAPTLMNAGAANPSR1
SCHEMBL8399573 0.78 GPR119 (0.53) LMNAMAPK1IDO1RAB9A

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 2234/4885MAPT 4707/4885LMNA 3281/4885
US-20110263550-A1 THERAPEUTIC AGENT FOR CHRONIC OBSTRUCTIVE PULMONARY DISEASE CFTR, SCLY, ELANE ALDH1A1 2234/4885MAPT 4707/4885LMNA 3281/4885

“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.