SCHEMBL21055988

SCHEMBL21055988

Cc1ccc([S+]([O-])c2ccccc2Br)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.34
MAPK1 P28482 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
THPO P40225 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
ACHE P22303 2/20 0.32
TSHR P16473 1/20 0.32
ALOX12 P18054 1/20 0.32
TP53 P04637 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL21055989 1.00 ALDH1A1 (0.37) ALDH1A1LMNAMAPK1CYP3A4CYP2D6
SCHEMBL31010991 0.86 ACHE (0.39) ALDH1A1LMNAACHETSHRALOX12
SCHEMBL9316575 0.84 ALDH1A1 (0.34) ALDH1A1MAPK1TDP1
SCHEMBL21055985 0.81 ALDH1A1 (0.34) ALDH1A1MAPK1ACHETDP1
SCHEMBL21055984 0.81 ALDH1A1 (0.34) ALDH1A1MAPK1ACHETDP1
SCHEMBL28290020 0.80 ACHE (0.36) ALDH1A1LMNAACHETSHRALOX12
SCHEMBL6912793 0.77 TDP1 (0.39) ALDH1A1LMNACYP3A4ACHETSHR
SCHEMBL18095662 0.77 ALDH1A1 (0.38) ALDH1A1LMNAMAPK1NPC1RAB9A
SCHEMBL3289166 0.74 ACHE (0.48) ALDH1A1LMNACYP3A4CYP2D6NPC1
SCHEMBL12283588 0.74 ACHE (0.48) ALDH1A1LMNACYP3A4CYP2D6NPC1

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
US-11434253-B2 Enantiopure terphenyls with two ortho-atropisomeric axes UNIVERSITE DE STRASBOURG (FR) 2022-09-06 US disclosed
US-20210070785-A1 ENANTIOPURE TERPHENYLS WITH TWO ORTHO-ATROPISOMERIC AXES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2021-03-11 US disclosed
EP-3498684-B1 ENANTIOPURE TERPHENYLS WITH TWO ORTHO-ATROPISOMERIC AXES UNIV STRASBOURG (FR) 2020-10-14 EP disclosed
EP-3498684-A1 ENANTIOPURE TERPHENYLS WITH TWO ORTHO-ATROPISOMERIC AXES Université de Strasbourg (FR) 2019-06-19 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-11434253-B2 Enantiopure terphenyls with two ortho-atropisomeric axes THOP1, COMT, TPR ALDH1A1 1707/4885LMNA 4825/4885MAPK1 2554/4885
US-20210070785-A1 ENANTIOPURE TERPHENYLS WITH TWO ORTHO-ATROPISOMERIC AXES THOP1, COMT, TPR ALDH1A1 1707/4885LMNA 4825/4885MAPK1 2554/4885

“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.