SCHEMBL7141503

SCHEMBL7141503

C=C(C)C(C)CS(=O)(=O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 1/20 0.48
POLB P06746 1/20 0.46
HSD11B1 P28845 6/20 0.43
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 1/20 0.41
CYP1A2 P05177 1/20 0.40
GAA P10253 1/20 0.40
CYP2C19 P33261 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
BCAT1 P54687 1/20 0.40
MMP13 P45452 3/20 0.39
LARS1 Q9P2J5 1/20 0.39

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
SCHEMBL7135389 1.00 PSIP1 (0.48) PSIP1POLBHSD11B1ALDH1A1TP53
SCHEMBL7365625 0.81 PSIP1 (0.52) PSIP1POLBHSD11B1ALDH1A1TP53
SCHEMBL7370842 0.79 PSIP1 (0.48) PSIP1POLBHSD11B1ALDH1A1TP53
SCHEMBL6550974 0.77 HSD11B1 (0.49) PSIP1HSD11B1ALDH1A1TP53HTT
SCHEMBL9426107 0.77 PSIP1 (0.56) PSIP1POLBHSD11B1ALDH1A1TP53
SCHEMBL8910619 0.77 PSIP1 (0.56) PSIP1POLBHSD11B1ALDH1A1TP53
SCHEMBL7724605 0.77 PSIP1 (0.56) PSIP1POLBHSD11B1ALDH1A1TP53
SCHEMBL778303 0.77 PSIP1 (0.60) PSIP1POLBHSD11B1ALDH1A1TP53
SCHEMBL8414713 0.76 POLB (0.47) PSIP1POLBHSD11B1MEN1KMT2A
SCHEMBL9218545 0.76 POLB (0.47) PSIP1POLBHSD11B1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1148347-C Process for preparing hydroxy-25-ene-vitamin D compounds ���ƹ��ʹ�˾ 2004-05-05 CN claimed
EP-1091936-B1 METHOD FOR MAKING HYDROXY-25-ENE-VITAMIN D COMPOUNDS BONE CARE INT INC (US) 2003-07-30 EP claimed
US-20030009042-A1 Method for making hydroxy-25-ene-vitamin D compounds BONE CARE INTERNATIONAL, INC. 2003-01-09 US claimed
US-6441207-B1 REACTING 2,3-DIMETHYL-3-BUTENE PHENYL SULFONE WITH HYDROXYL PROTECTED C-22 ALDEHYDE OF A VITAMIN D; REDUCING, ISOMERIZ-ING AND DEPROTECTING; LOWER TOXICITY; ANTIPROLIFERATIVE AND DIFFERENTIATING EFFECTS; LESS CALCEMIC ACTIVITY BONE CARE INTERNATIONAL, INC. 2002-08-27 US claimed
CN-1303369-A Process for preparing hydroxy-25-ene-vitamin D compounds BONE CARE INT INC (US) 2001-07-11 CN claimed
EP-1091936-A2 METHOD FOR MAKING HYDROXY-25-ENE-VITAMIN D COMPOUNDS BONE CARE INTERNATIONAL, INC. (US) 2001-04-18 EP claimed
WO-1999061417-A2 METHOD FOR MAKING HYDROXY-25-ENE-VITAMIN D COMPOUNDS BONE CARE INTERNATIONAL, INC. (US) 1999-12-02 WO claimed
CN-1148347-C Process for preparing hydroxy-25-ene-vitamin D compounds ���ƹ��ʹ�˾ 2004-05-05 CN disclosed
EP-1091936-B1 METHOD FOR MAKING HYDROXY-25-ENE-VITAMIN D COMPOUNDS BONE CARE INT INC (US) 2003-07-30 EP disclosed
US-20030009042-A1 Method for making hydroxy-25-ene-vitamin D compounds BONE CARE INTERNATIONAL, INC. 2003-01-09 US disclosed
US-6441207-B1 REACTING 2,3-DIMETHYL-3-BUTENE PHENYL SULFONE WITH HYDROXYL PROTECTED C-22 ALDEHYDE OF A VITAMIN D; REDUCING, ISOMERIZ-ING AND DEPROTECTING; LOWER TOXICITY; ANTIPROLIFERATIVE AND DIFFERENTIATING EFFECTS; LESS CALCEMIC ACTIVITY BONE CARE INTERNATIONAL, INC. 2002-08-27 US disclosed
CN-1303369-A Process for preparing hydroxy-25-ene-vitamin D compounds BONE CARE INT INC (US) 2001-07-11 CN disclosed
EP-1091936-A2 METHOD FOR MAKING HYDROXY-25-ENE-VITAMIN D COMPOUNDS BONE CARE INTERNATIONAL, INC. (US) 2001-04-18 EP disclosed
WO-1999061417-A2 METHOD FOR MAKING HYDROXY-25-ENE-VITAMIN D COMPOUNDS BONE CARE INTERNATIONAL, INC. (US) 1999-12-02 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 (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-20030009042-A1 Method for making hydroxy-25-ene-vitamin D compounds CYP2R1, CYP24A1, VDR PSIP1 4001/4885POLB 2984/4885HSD11B1 43/4885

“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.