SCHEMBL22633334

SCHEMBL22633334

Cc1ccc(S(=O)(=O)OCCO[C@@H]2CCCC[C@H]2OCCOS(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.43
CYP1A2 P05177 1/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA9 Q16790 1/20 0.42
ENPP3 O14638 2/20 0.41
ENPP1 P22413 2/20 0.41
ENPP2 Q13822 2/20 0.41
ACHE P22303 1/20 0.40
POLB P06746 1/20 0.39
HTR6 P50406 1/20 0.39
STAT3 P40763 1/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL22633358 1.00 CYP2D6 (0.43) CYP2D6CYP1A2ALDH1A1CYP3A4TSHR
SCHEMBL22633332 0.97 CYP2D6 (0.43) CYP2D6CYP1A2ALDH1A1CYP3A4TSHR
SCHEMBL22633341 0.97 CYP2D6 (0.43) CYP2D6CYP1A2ALDH1A1CYP3A4TSHR
SCHEMBL14803666 0.94 CYP2D6 (0.46) CYP2D6CYP1A2ALDH1A1CYP3A4TSHR
SCHEMBL7215095 0.88 ALDH1A1 (0.43) CYP2D6CYP1A2ALDH1A1CYP3A4TSHR
SCHEMBL11171926 0.86 ALDH1A1 (0.45) CYP2D6CYP1A2ALDH1A1CYP3A4TSHR
SCHEMBL499873 0.84 CYP2D6 (0.44) CYP2D6CYP1A2ALDH1A1CYP3A4TSHR
SCHEMBL241884 0.83 CA1 (0.52) CYP2D6CYP1A2ALDH1A1CYP3A4CA12
SCHEMBL20129163 0.81 ALDH1A1 (0.41) CYP2D6CYP1A2ALDH1A1CYP3A4TSHR
SCHEMBL1934479 0.80 MEN1 (0.43) CYP2D6CYP1A2ALDH1A1CYP3A4TSHR

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-12453785-B2 Macrocyclic chelators and methods of use thereof JANSSEN BIOTECH, INC. (US) 2025-10-28 US disclosed
US-20230110178-A1 Macrocyclic Chelators and Methods of Use Thereof JANSSEN BIOTECH, INC. 2023-04-13 US disclosed
US-11576986-B2 Macrocyclic chelators and methods of use thereof JANSSEN BIOTECH, INC. (US) 2023-02-14 US disclosed
EP-3966211-A1 MACROCYCLIC CHELATORS AND METHODS OF USE THEREOF Janssen Biotech, Inc. (US) 2022-03-16 EP disclosed
US-20200353105-A1 Macrocyclic Chelators and Methods of Use Thereof JANSSEN BIOTECH, INC. 2020-11-12 US 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 (4 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-20200353105-A1 Macrocyclic Chelators and Methods of Use Thereof CLASP1, CLTC, CD47 CYP2D6 4712/4885CYP1A2 4570/4885ALDH1A1 2977/4885
US-11576986-B2 Macrocyclic chelators and methods of use thereof CLASP1, CLTC, CD47 CYP2D6 4712/4885CYP1A2 4570/4885ALDH1A1 2977/4885
US-20230110178-A1 Macrocyclic Chelators and Methods of Use Thereof CLASP1, CLTC, CD47 CYP2D6 4712/4885CYP1A2 4570/4885ALDH1A1 2977/4885
US-12453785-B2 Macrocyclic chelators and methods of use thereof CLASP1, CLTC, CD47 CYP2D6 4712/4885CYP1A2 4570/4885ALDH1A1 2977/4885

“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.