SCHEMBL26212911

SCHEMBL26212911

O=S(=O)(NCCCl)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.56
FFAR4 Q5NUL3 2/20 0.51
MMP2 P08253 2/20 0.49
MMP9 P14780 2/20 0.49
MMP14 P50281 2/20 0.49
ADAM17 P78536 2/20 0.49
MMP1 P03956 1/20 0.49
ALDH1A1 P00352 3/20 0.49
PKM P14618 1/20 0.49
CCR1 P32246 1/20 0.48
CTDSP1 Q9GZU7 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
HDAC3 O15379 2/20 0.44
HDAC4 P56524 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC10 Q969S8 2/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC8 Q9BY41 2/20 0.44

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
SCHEMBL3684870 0.84 CA12 (0.58) L3MBTL1FFAR4MMP2MMP9MMP14
SCHEMBL20314697 0.81 ALDH1A1 (0.58) L3MBTL1FFAR4ALDH1A1PKMCCR1
SCHEMBL6021145 0.80 PDE4A (0.53) L3MBTL1FFAR4MMP2MMP9MMP14
SCHEMBL12499028 0.80 ALDH1A1 (0.75) MMP2MMP9MMP1ALDH1A1PKM
SCHEMBL26212894 0.80 CA1 (0.58) MMP9MMP1ALDH1A1PKMCCR1
SCHEMBL26921184 0.79 L3MBTL1 (0.55) L3MBTL1FFAR4MMP2MMP9MMP14
SCHEMBL29306669 0.79 L3MBTL1 (0.55) L3MBTL1FFAR4MMP2MMP9MMP14
SCHEMBL26921582 0.79 MEN1 (0.59) L3MBTL1MMP2MMP9MMP1ALDH1A1
Benzene SCHEMBL28397474 0.79 L3MBTL1 (0.65) L3MBTL1MMP2MMP9MMP14ADAM17
SCHEMBL29839161 0.79 L3MBTL1 (0.49) L3MBTL1FFAR4MMP2MMP9MMP14

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
CN-115843271-B Indole derivatives and their use for the treatment of cancer 克洛德贝纳尔-里昂第一大学 2024-08-13 CN disclosed
US-20230278983-A1 INDOLE DERIVATIVES AND USES THEREOF FOR TREATING A CANCER UNIVERSITE CLAUDE BERNARD LYON 1 (FR) 2023-09-07 US disclosed
US-20230278983-A1 INDOLE DERIVATIVES AND USES THEREOF FOR TREATING A CANCER UNIVERSITE CLAUDE BERNARD LYON 1 (FR) 2023-09-07 US disclosed
CN-115843271-A Indole derivatives and their use for the treatment of cancer 克洛德贝纳尔-里昂第一大学 2023-03-24 CN 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-20230278983-A1 INDOLE DERIVATIVES AND USES THEREOF FOR TREATING A CANCER CSNK2A1, IDO1, CSNK2A3 L3MBTL1 3699/4885FFAR4 4564/4885MMP2 2564/4885

“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.