SCHEMBL4175756

SCHEMBL4175756

CCS(=O)(=O)CCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.62
MMP12 P39900 2/20 0.50
MMP13 P45452 2/20 0.50
IDO1 P14902 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
POLB P06746 1/20 0.46
CA1 P00915 2/20 0.44
LMNA P02545 2/20 0.44
CA12 O43570 1/20 0.44
CA7 P43166 1/20 0.44
CA13 Q8N1Q1 1/20 0.44
TP53 P04637 1/20 0.44
CA9 Q16790 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MMP1 P03956 1/20 0.43
MMP7 P09237 1/20 0.43
MMP8 P22894 1/20 0.43
PSIP1 O75475 1/20 0.43
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL8844820 0.88 CA2 (0.47) CA2MMP12MMP13KMT2ACA1
SCHEMBL302785 0.88 CA2 (0.69) CA2MMP12MMP13IDO1CA1
SCHEMBL14495267 0.84 CA2 (0.77) CA2MMP12MMP13IDO1CA1
SCHEMBL12040650 0.84 CA2 (0.61) CA2MEN1KMT2APOLBMAPT
SCHEMBL12040755 0.82 CA2 (0.53) CA2MMP12MMP13MEN1KMT2A
SCHEMBL3247748 0.82 CA2 (0.62) CA2MMP12MMP13IDO1MEN1
SCHEMBL12040728 0.81 CA2 (0.56) CA2MMP13MMP1
SCHEMBL29250508 0.80 CA2 (0.60) CA2MMP12MMP13IDO1CA1
SCHEMBL8788953 0.80 CA2 (0.60) CA2MMP12MMP13IDO1CA1
SCHEMBL515212 0.79 CA2 (0.53) CA2MMP12MMP13IDO1MEN1

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
EP-1934238-B1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MELINTA THERAPEUTICS INC (US) 2017-06-28 EP disclosed
US-20120165309-A1 HETERO RING DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-28 US disclosed
US-20120165409-A1 WRINKLE-IMPROVING AGENT SHISEIDO COMPANY, LTD. (JP) 2012-06-28 US disclosed
US-20090215893-A1 Parakeratosis inhibitor, pore-shrinking agent,or rough skin preventing/ameliorating agent, and external composition for skin SHISEIDO COMPANY LTD (JP) 2009-08-27 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 (3 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-20120165309-A1 HETERO RING DERIVATIVE IL2, PIK3R2, IL2RA CA2 2309/4885MMP12 2382/4885MMP13 3156/4885
US-20090215893-A1 Parakeratosis inhibitor, pore-shrinking agent,or rough skin preventing/ameliorating agent, and external composition for skin CUTA, STOM, MTOR CA2 1657/4885MMP12 1873/4885MMP13 1841/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 CA2 3261/4885MMP12 585/4885MMP13 17/4885

“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.