SCHEMBL11852003

SCHEMBL11852003

CSc1ccc(C(C)=O)c(SC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 3/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.39
AKR1C3 P42330 3/20 0.39
AKR1C2 P52895 3/20 0.39
KMT2A Q03164 2/20 0.37
HSD17B10 Q99714 1/20 0.37
PLK1 P53350 1/20 0.37

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
SCHEMBL30004019 1.00 MCL1 (0.47) MCL1SMN1; SMN2GAAL3MBTL1NPC1
SCHEMBL1020499 0.80 MCL1 (0.56) MCL1SMN1; SMN2GAAL3MBTL1NPC1
SCHEMBL22514066 0.80 MCL1 (0.47) MCL1SMN1; SMN2GAAL3MBTL1NPC1
SCHEMBL7572980 0.79 GAA (0.49) MCL1SMN1; SMN2GAAL3MBTL1NPC1
SCHEMBL12726114 0.78 MCL1 (0.46) MCL1SMN1; SMN2GAAL3MBTL1NPC1
SCHEMBL7867188 0.78 CYP11B1 (0.47) MCL1SMN1; SMN2GAAL3MBTL1NPC1
SCHEMBL19434336 0.78 MCL1 (0.46) MCL1SMN1; SMN2GAAL3MBTL1NPC1
SCHEMBL8017606 0.78 MAOB (0.42) SMN1; SMN2NPC1RAB9AMAPK1ALDH1A1
SCHEMBL28508835 0.78 MAOA (0.42) MAPK1ALDH1A1HPGDTSHR
SCHEMBL5431310 0.76 MCL1 (0.72) MCL1SMN1; SMN2MAPK1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3653613-B1 1,3-DI-SUBSTITUTED KETENE COMPOUND AND APPLICATION THEREOF BEBETTER MED INC (CN) 2022-11-16 EP disclosed
US-11306102-B2 1,3-di-substituted ketene compound and application thereof BEBETTER MED INC. (CN) 2022-04-19 US disclosed
US-20210122761-A1 1,3-DI-SUBSTITUTED KETENE COMPOUND AND APPLICATION THEREOF BEBETTER MED INC. (CN) 2021-04-29 US disclosed
EP-3653613-A1 1,3-DI-SUBSTITUTED KETENE COMPOUND AND APPLICATION THEREOF Guangzhou Bebetter Medicine Technology Co., Ltd. (CN) 2020-05-20 EP disclosed
US-3976769-A INSECTICIDE AIRWICK INDUSTRIES, INC. (US) 1976-08-24 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 (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-20210122761-A1 1,3-DI-SUBSTITUTED KETENE COMPOUND AND APPLICATION THEREOF PPARA, FABP1, PPARG MCL1 4338/4885SMN1; SMN2 3553/4885GAA 1172/4885
US-11306102-B2 1,3-di-substituted ketene compound and application thereof PPARA, FABP1, PPARG MCL1 4338/4885SMN1; SMN2 3553/4885GAA 1172/4885

“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.