SCHEMBL7142997

SCHEMBL7142997

CCCCCCC(=O)Nc1nccs1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.64
CYP2C9 P11712 1/20 0.64
LMNA P02545 2/20 0.60
L3MBTL1 Q9Y468 1/20 0.59
ALDH1A1 P00352 3/20 0.59
HPGD P15428 2/20 0.58
NPSR1 Q6W5P4 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
HSD17B10 Q99714 1/20 0.58
PKM P14618 1/20 0.58
MAPK10 P53779 1/20 0.58
USP2 O75604 1/20 0.57
MAPK1 P28482 1/20 0.57
NPC1 O15118 1/20 0.57
ADRB2 P07550 1/20 0.57
RAB9A P51151 1/20 0.57
CYP2C19 P33261 1/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56

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
SCHEMBL17817590 1.00 ADORA2A (0.64) ADORA2ACYP2C9LMNAL3MBTL1ALDH1A1
SCHEMBL2656868 0.98 ADORA2A (0.66) ADORA2ACYP2C9LMNAL3MBTL1ALDH1A1
SCHEMBL1854243 0.94 ADORA2A (0.71) ADORA2ACYP2C9LMNAL3MBTL1ALDH1A1
SCHEMBL15480447 0.92 ALDH1A1 (0.67) LMNAALDH1A1HPGDNPSR1SMN1; SMN2
SCHEMBL15480448 0.92 ALDH1A1 (0.67) LMNAALDH1A1HPGDNPSR1SMN1; SMN2
SCHEMBL15480445 0.92 ALDH1A1 (0.67) LMNAALDH1A1HPGDNPSR1SMN1; SMN2
SCHEMBL15480450 0.92 ALDH1A1 (0.67) LMNAALDH1A1HPGDNPSR1SMN1; SMN2
SCHEMBL15480444 0.91 ALDH1A1 (0.68) LMNAALDH1A1HPGDNPSR1SMN1; SMN2
SCHEMBL1860388 0.90 L3MBTL1 (0.56) ADORA2ACYP2C9LMNAL3MBTL1ALDH1A1
SCHEMBL1868857 0.90 L3MBTL1 (0.56) ADORA2ACYP2C9LMNAL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ADORA2A 1742/4885CYP2C9 196/4885LMNA 2351/4885
US-20020072609-A1 Process for preparing arylacetylaminothiazoles CCNT1, CCNI, CCNA1 ADORA2A 1896/4885CYP2C9 175/4885LMNA 2630/4885
US-20010004639-A1 Process for preparing arylacetylaminothiazoles CCNI, CCNA1, CCNT1 ADORA2A 1807/4885CYP2C9 231/4885LMNA 2266/4885

“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.