SCHEMBL2444472

SCHEMBL2444472

CCCCCN(C(C)=O)c1nccs1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HDAC1 Q13547 2/20 0.38
PLA2G4A P47712 2/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
GAA P10253 2/20 0.36
RAB9A P51151 2/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
FFAR2 O15552 1/20 0.36
NPC1 O15118 1/20 0.35
JAK2 O60674 1/20 0.35
PAX8 Q06710 1/20 0.35
ELANE P08246 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL4539692 0.78 TRPM8 (0.40) L3MBTL1ALDH1A1HDAC1TRPM8GAA
SCHEMBL4894844 0.77 SCN1A (0.41) L3MBTL1ALDH1A1HDAC1PLA2G4ATSHR
SCHEMBL30514164 0.76 SCN1A (0.38) L3MBTL1ALDH1A1HDAC1PLA2G4ATSHR
SCHEMBL18764698 0.74 ALDH1A1 (0.41) L3MBTL1ALDH1A1TRPM8GAARAB9A
Benzene SCHEMBL27360410 0.74 GAA (0.35) MLYCDL3MBTL1ALDH1A1HDAC1TRPM8
Hydrochloric Acid SCHEMBL28694374 0.73 HDAC1 (0.37) L3MBTL1HDAC1PLA2G4AGAATSHR
SCHEMBL10707298 0.73 TLR8 (0.37) L3MBTL1ALDH1A1HDAC1PLA2G4ATSHR
SCHEMBL4722034 0.72 SCN1A (0.42) L3MBTL1ALDH1A1HDAC1TSHRSMN1; SMN2
SCHEMBL3509524 0.72 MLYCD (0.37) MLYCDL3MBTL1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL30088848 0.71 ALDH1A1 (0.43) L3MBTL1ALDH1A1HDAC1PLA2G4ATRPM8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011114184-A1 AMIDES OF HETEROCYCLIC COMPOUNDS AS TRPA1 INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2011-09-22 WO disclosed
US-20030216440-A1 Process for preparing arylacetylaminothiazoles CHEN BANG-CHI (US) 2003-11-20 US disclosed
US-6613911-B2 Reaction of haloarylacetic acids or esters with olefins to give vinylarylacetic acids or esters, oxidation with an oxidizing reagent gives formylarylacetic acids or esters BRISTOL-MYERS SQUIBB COMPANY 2003-09-02 US disclosed
EP-1303512-A1 PROCESS FOR PREPARING ARYLACETYLAMINOTHIAZOLES Bristol-Myers Squibb Company (US) 2003-04-23 EP disclosed
US-20020072609-A1 Process for preparing arylacetylaminothiazoles CHEN BANG-CHI (US) 2002-06-13 US disclosed
US-6392053-B2 INCLUDES REACTING HALOARYLACETIC ACIDS OR ESTERS WITH OLEFINS TO GIVEN VINYLACRYLACETIC ACIDS OR ESTERS, FOLLOWED BY OXIDATION TO FORM THE FORMYLARYLACETIC ACID INTERMEDIATE; CYCLIN DEPENDENT KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2002-05-21 US disclosed
WO-2002010161-A1 PROCESS FOR PREPARING ARYLACETYLAMINOTHIAZOLES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-02-07 WO disclosed
US-20010004639-A1 Process for preparing arylacetylaminothiazoles BRISTOL-MYERS SQUIBB COMPANY 2001-06-21 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 (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-20030216440-A1 Process for preparing arylacetylaminothiazoles CCNI, CCNT1, CCNA1 MLYCD 3244/4885L3MBTL1 4496/4885ALDH1A1 1238/4885
US-20020072609-A1 Process for preparing arylacetylaminothiazoles CCNT1, CCNI, CCNA1 MLYCD 3681/4885L3MBTL1 4503/4885ALDH1A1 861/4885
US-20010004639-A1 Process for preparing arylacetylaminothiazoles CCNI, CCNA1, CCNT1 MLYCD 3227/4885L3MBTL1 4559/4885ALDH1A1 1284/4885

“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.