SCHEMBL23716644

SCHEMBL23716644

Cc1ccc(S(=O)(=O)OCCOCCCCc2ccc(S(=O)(=O)O)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.45
FKBP1A P62942 4/20 0.43
CYP2C9 P11712 2/20 0.42
CYP1A2 P05177 1/20 0.42
TBXA2R P21731 1/20 0.39
PKM P14618 1/20 0.38
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA9 Q16790 1/20 0.37
PSMD10 O75832 1/20 0.37
HRH1 P35367 1/20 0.37
KCNH2 Q12809 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
IGF1R P08069 1/20 0.36
ALOX15 P16050 1/20 0.36
ENPP1 P22413 1/20 0.36

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
SCHEMBL23628717 0.96 CYP2D6 (0.46) CYP2D6FKBP1ACYP2C9CYP1A2PKM
SCHEMBL21820301 0.96 CYP2D6 (0.46) CYP2D6FKBP1ACYP2C9CYP1A2PKM
SCHEMBL4075625 0.84 CYP2D6 (0.44) CYP2D6FKBP1ACYP2C9CYP1A2ALDH1A1
SCHEMBL18530411 0.83 ALDH1A1 (0.45) ALDH1A1MEN1KMT2ACA12CA1
SCHEMBL29120224 0.83 CNR2 (0.46) FKBP1ACYP1A2ALDH1A1MEN1KMT2A
SCHEMBL21405085 0.81 ALDH1A1 (0.43) CYP2D6CYP2C9CYP1A2TBXA2RALDH1A1
SCHEMBL18934371 0.80 ALDH1A1 (0.47) FKBP1ACYP2C9ALDH1A1MEN1KMT2A
SCHEMBL278859 0.80 ALDH1A1 (0.47) CYP2D6CYP2C9CYP1A2ALDH1A1CA12
SCHEMBL2567795 0.80 ALDH1A1 (0.47) FKBP1ACYP2C9ALDH1A1MEN1KMT2A
SCHEMBL2550352 0.80 ALDH1A1 (0.50) CYP2D6CYP2C9CYP1A2TBXA2RALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220267311-A1 BICYCLO[1.1.1]PENTANE INHIBITORS OF DUAL LEUCINE ZIPPER (DLK) KINASE FOR THE TREATMENT OF DISEASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2022-08-25 US disclosed
EP-3551610-B1 BICYCLO[1.1.1]PENTANE INHIBITORS OF DUAL LEUCINE ZIPPER (DLK) KINASE FOR THE TREATMENT OF DISEASE UNIV TEXAS (US) 2021-08-11 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 (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-20220267311-A1 BICYCLO[1.1.1]PENTANE INHIBITORS OF DUAL LEUCINE ZIPPER (DLK) KINASE FOR THE TREATMENT OF DISEASE CLK1, MAP3K12, CLK2 CYP2D6 4594/4885FKBP1A 1071/4885CYP2C9 4703/4885

“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.