SCHEMBL1275988

SCHEMBL1275988

CCC(C)NC(=S)NC(C)CC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.61
CA1 P00915 1/20 0.61
CA2 P00918 1/20 0.61
CA9 Q16790 1/20 0.61
STAT3 P40763 1/20 0.44
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP3 P08254 1/20 0.44
HTT P42858 2/20 0.43
ALPL P05186 1/20 0.43
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PKM P14618 2/20 0.40
KDM4E B2RXH2 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
EPHX1 P07099 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL11504379 0.92 CA12 (0.54) CA12CA1CA2CA9STAT3
SCHEMBL14155210 0.90 CA12 (0.52) CA12CA1CA2CA9STAT3
SCHEMBL11596849 0.87
SCHEMBL8167869 0.85 ALDH1A1 (0.55) CA12CA1CA2CA9STAT3
SCHEMBL10488617 0.85
SCHEMBL21351803 0.84 CA12 (0.47) CA12CA1CA2CA9STAT3
SCHEMBL11507848 0.81 MEN1 (0.50) CA12CA1CA2CA9STAT3
SCHEMBL26126387 0.81 ADH1B (0.44) CA12CA1CA2CA9STAT3
SCHEMBL13810457 0.80
SCHEMBL3610449 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106939248-B Water-based carbon deposit cleaning composition for automobile Foshan city cloud Technology Co. Ltd. (CN) 2019-12-10 CN disclosed
US-10077336-B2 Functionalized highly branched melamine-polyamine polymers BASF SE (DE) 2018-09-18 US disclosed
US-8466221-B2 Polyamides that resist heat-aging BASF SE (DE) 2013-06-18 US disclosed
US-20120252987-A1 FUNCTIONALIZED HIGHLY BRANCHED MELAMINE-POLYAMINE POLYMERS BASF SE (DE) 2012-10-04 US disclosed
US-20110257321-A1 HIGHLY BRANCHED POLYAMINES AND OLIGOAMINES AS CORROSION INHIBITORS BASF SE (DE) 2011-10-20 US disclosed
US-20110224347-A1 POLYAMIDES THAT RESIST HEAT-AGING BASF SE (DE) 2011-09-15 US disclosed
US-20110028603-A1 HYPERBRANCHED POLYMERS AND OLIGOMERS COMPRISING TERMINAL AMINO GROUPS AS CURING AGENTS FOR EPOXY RESINS BASF SE (DE) 2011-02-03 US disclosed
US-4125614-A DIURETIC HOECHST AKTIENGESELLSCHAFT (DE) 1978-11-14 US disclosed
US-4061761-A Thiazolidine derivatives HOECHST AKTIENGESELLSCHAFT (DT) 1977-12-06 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-20120252987-A1 FUNCTIONALIZED HIGHLY BRANCHED MELAMINE-POLYAMINE POLYMERS PARN, INMT, SRM CA12 545/4885CA1 497/4885CA2 928/4885

“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.