SCHEMBL8091265

SCHEMBL8091265

CCCCCCCC(N)c1cccs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.46
SLC2A1 P11166 1/20 0.43
HDAC1 Q13547 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
CSNK1E P49674 1/20 0.40
ALOX5 P09917 1/20 0.38
GLA P06280 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LAP3 P28838 1/20 0.37
OPRM1 P35372 1/20 0.36
SLC7A5 Q01650 1/20 0.36
HDAC3 O15379 1/20 0.36
LMNA P02545 1/20 0.35
RECQL P46063 1/20 0.35
SPHK1 Q9NYA1 1/20 0.35
S1PR2 O95136 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
SCHEMBL23694901 1.00 CA2 (0.46) CA2SLC2A1HDAC1HDAC11HDAC8
SCHEMBL29112979 1.00 CA2 (0.46) CA2SLC2A1HDAC1HDAC11HDAC8
SCHEMBL23695648 1.00 CA2 (0.46) CA2SLC2A1HDAC1HDAC11HDAC8
SCHEMBL26481429 0.98 CA2 (0.43) CA2SLC2A1HDAC1HDAC11HDAC8
SCHEMBL23695275 0.93 CA2 (0.43) CA2SLC2A1HDAC1HDAC11HDAC8
SCHEMBL4444118 0.85 ALOX5 (0.42) ALOX5GLATSHRHTTL3MBTL1
SCHEMBL25440569 0.82 HDAC1 (0.39) HDAC1HDAC11HDAC8HDAC6CSNK1E
SCHEMBL20689617 0.82 HDAC1 (0.39) HDAC1HDAC11HDAC8HDAC6CSNK1E
SCHEMBL5903025 0.82 HDAC1 (0.39) HDAC1HDAC11HDAC8HDAC6CSNK1E
SCHEMBL14288464 0.82 HDAC1 (0.39) HDAC1HDAC11HDAC8HDAC6CSNK1E

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
US-20230135729-A1 COMPOUND WITH ANTI-SPORE ACTIVITY AND PHARMACEUTICAL COMPOSITION THEREOF CHENGDU BIOBEL COMPANY LIMITED (CN) 2023-05-04 US disclosed
US-20230135729-A1 COMPOUND WITH ANTI-SPORE ACTIVITY AND PHARMACEUTICAL COMPOSITION THEREOF CHENGDU BIOBEL COMPANY LIMITED (CN) 2023-05-04 US disclosed
WO-2021147123-A1 COMPOUND HAVING ANTISPORULANT ACTIVITY AND PHARMACEUTICAL COMPOSITION THEREOF 成都贝诺科成生物科技有限公司 2021-07-29 WO disclosed
US-6166003-A Heterocyclic compounds for cancer chemoprevention LKT LABORATORIES, INC. (US) 2000-12-26 US disclosed
WO-2000049013-A1 ISOTHIO CYANATO ALKYLTHIOPHENES AS CANCER CHEMOPROTECTIVE AGENTS LKT LABORATORIES, INC. (US) 2000-08-24 WO 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-20230135729-A1 COMPOUND WITH ANTI-SPORE ACTIVITY AND PHARMACEUTICAL COMPOSITION THEREOF CASP9, CLPP, CASP1 CA2 573/4885SLC2A1 4745/4885HDAC1 419/4885

“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.