SCHEMBL21950985

SCHEMBL21950985

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.50
ALDH1A1 P00352 3/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 2/20 0.35
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HSD17B10 Q99714 2/20 0.35
POLB P06746 1/20 0.35
LMNA P02545 1/20 0.35
AKR1C3 P42330 3/20 0.35
AKR1C2 P52895 3/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL3161431 0.78 MCL1 (0.72) MCL1ALDH1A1GAATSHRHPGD
SCHEMBL1020499 0.78 MCL1 (0.56) MCL1ALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL30826508 0.77 MCL1 (0.55) MCL1ALDH1A1GAATSHRHPGD
SCHEMBL17182529 0.77 NPC1 (0.49) ALDH1A1HPGDSMN1; SMN2POLBLMNA
SCHEMBL3109673 0.76 CES2 (0.59) ALDH1A1GAATSHRHPGDSMN1; SMN2
SCHEMBL9142419 0.74 MCL1 (0.51) MCL1ALDH1A1GAATSHRHPGD
SCHEMBL21951012 0.74 ALDH1A1 (0.65) MCL1ALDH1A1GAATSHRHPGD
SCHEMBL8431978 0.74 MCL1 (0.51) MCL1ALDH1A1GAATSHRHPGD
SCHEMBL3152318 0.74 CA12 (0.62) MCL1ALDH1A1GAATSHRHPGD
SCHEMBL30003095 0.74 MCL1 (0.51) MCL1ALDH1A1GAATSHRHPGD

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-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

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 4338/4885ALDH1A1 1018/4885GAA 1172/4885
US-11306102-B2 1,3-di-substituted ketene compound and application thereof PPARA, FABP1, PPARG MCL1 4338/4885ALDH1A1 1018/4885GAA 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.