SCHEMBL11955419

SCHEMBL11955419

CC(C)(C)OC(=O)C[C@H]1C[C@@H](CSc2nc3ccccc3s2)OC(C)(C)O1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.46
MAPT P10636 8/20 0.46
CYP1A2 P05177 3/20 0.46
CYP3A4 P08684 3/20 0.46
CYP2C19 P33261 3/20 0.46
HPGD P15428 6/20 0.46
LMNA P02545 4/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 3/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
SMN1; SMN2 Q16637 6/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
RECQL P46063 2/20 0.42
POLB P06746 2/20 0.42
APEX1 P27695 1/20 0.42
HSD17B10 Q99714 3/20 0.42
MAPK1 P28482 3/20 0.42
HTT P42858 1/20 0.41

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
SCHEMBL8511817 0.90 ALDH1A1 (0.41) ALDH1A1MAPTCYP1A2CYP3A4CYP2C19
SCHEMBL11300123 0.90 ALDH1A1 (0.51) ALDH1A1MAPTCYP1A2CYP3A4CYP2C19
SCHEMBL11300120 0.90 ALDH1A1 (0.51) ALDH1A1MAPTCYP1A2CYP3A4CYP2C19
SCHEMBL11956135 0.90 ALDH1A1 (0.51) ALDH1A1MAPTCYP1A2CYP3A4CYP2C19
SCHEMBL11891018 0.86 ALDH1A1 (0.48) ALDH1A1MAPTCYP1A2CYP3A4CYP2C19
SCHEMBL17976600 0.86 ALDH1A1 (0.50) ALDH1A1MAPTCYP1A2CYP3A4CYP2C19
SCHEMBL11302220 0.86 ALDH1A1 (0.50) ALDH1A1MAPTCYP1A2CYP3A4CYP2C19
SCHEMBL11302224 0.86 ALDH1A1 (0.50) ALDH1A1MAPTCYP1A2CYP3A4CYP2C19
SCHEMBL20565781 0.81 HPGD (0.51) ALDH1A1MAPTCYP1A2CYP3A4CYP2C19
SCHEMBL18797553 0.81 HPGD (0.51) ALDH1A1MAPTCYP1A2CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230127147-A1 CONTINUOUS-FLOW PREPARATION METHOD OF DIOL SULFONE UNIV FUDAN (CN) 2023-04-27 US disclosed
EP-2665722-B1 PROCESS FOR THE PREPARATION OF DIOL SULFONES DSM SINOCHEM PHARM NL BV (NL) 2016-08-17 EP disclosed
EP-2665722-B1 PROCESS FOR THE PREPARATION OF DIOL SULFONES DSM SINOCHEM PHARM NL BV (NL) 2016-08-17 EP disclosed
US-9150562-B2 Process for the preparation of diol sulfones DSM SINOCHEM PHARMACEUTICALS NETHERLANDS B.V. (NL) 2015-10-06 US disclosed
US-9150562-B2 Process for the preparation of diol sulfones DSM SINOCHEM PHARMACEUTICALS NETHERLANDS B.V. (NL) 2015-10-06 US disclosed
US-9150562-B2 Process for the preparation of diol sulfones DSM SINOCHEM PHARMACEUTICALS NETHERLANDS B.V. (NL) 2015-10-06 US disclosed
US-20130303779-A1 PROCESS FOR THE PREPARATION OF DIOL SULFONES DSM SINOCHEM PHARMACEUTICALS NETHERLANDS B.V. (NL) 2013-11-14 US disclosed
US-20130303779-A1 PROCESS FOR THE PREPARATION OF DIOL SULFONES DSM SINOCHEM PHARMACEUTICALS NETHERLANDS B.V. (NL) 2013-11-14 US disclosed
US-20130303779-A1 PROCESS FOR THE PREPARATION OF DIOL SULFONES DSM SINOCHEM PHARMACEUTICALS NETHERLANDS B.V. (NL) 2013-11-14 US disclosed
WO-2012098048-A1 PROCESS FOR THE PREPARATION OF DIOL SULFONES DSM SINOCHEM PHARMACEUTICALS NETHERLANDS B.V. (NL) 2012-07-26 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 (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-20130303779-A1 PROCESS FOR THE PREPARATION OF DIOL SULFONES STS, DHCR7, TST ALDH1A1 927/4885MAPT 3293/4885CYP1A2 85/4885
US-20230127147-A1 CONTINUOUS-FLOW PREPARATION METHOD OF DIOL SULFONE DUOX2, SULT2A1, SQOR ALDH1A1 2157/4885MAPT 3483/4885CYP1A2 304/4885

“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.