SCHEMBL5481340

SCHEMBL5481340

C[C@]12CC[C@H]3[C@@H](CCC4CCCC[C@@]43C)[C@@H]1CC[C@@H]2C(O)=S

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
AKR1B10 O60218 2/20 0.52
AKR1B1 P15121 2/20 0.52
LMNA P02545 2/20 0.52
EFNA1 P20827 1/20 0.52
EPHA2 P29317 1/20 0.52
PSEN1 P49768 1/20 0.52
PSEN2 P49810 1/20 0.52
GPBAR1 Q8TDU6 1/20 0.52
APH1B Q8WW43 1/20 0.52
NCSTN Q92542 1/20 0.52
APH1A Q96BI3 1/20 0.52
PSENEN Q9NZ42 1/20 0.52
HSD17B10 Q99714 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
CYP19A1 P11511 1/20 0.50
GABRP O00591 4/20 0.48
GABRD O14764 4/20 0.48
GABRA1 P14867 4/20 0.48

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
SCHEMBL5481343 1.00 MEN1 (0.52) MEN1KMT2AAKR1B10AKR1B1LMNA
SCHEMBL27718581 0.87 MEN1 (0.53) MEN1KMT2AAKR1B10AKR1B1LMNA
SCHEMBL6045004 0.86 MEN1 (0.58) MEN1KMT2AAKR1B10AKR1B1LMNA
SCHEMBL13988189 0.86 MEN1 (0.58) MEN1KMT2AAKR1B10AKR1B1LMNA
SCHEMBL497657 0.86 MEN1 (0.58) MEN1KMT2AAKR1B10AKR1B1LMNA
SCHEMBL6044996 0.86 MEN1 (0.58) MEN1KMT2AAKR1B10AKR1B1LMNA
SCHEMBL11345742 0.86 MEN1 (0.58) MEN1KMT2AAKR1B10AKR1B1LMNA
SCHEMBL497658 0.86 MEN1 (0.58) MEN1KMT2AAKR1B10AKR1B1LMNA
SCHEMBL11060164 0.86 MEN1 (0.58) MEN1KMT2AAKR1B10AKR1B1LMNA
SCHEMBL11696291 0.84 MEN1 (0.57) MEN1KMT2AAKR1B10AKR1B1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070270584-A1 Process for the Preparation of Steroidal Carbothioic Acid Derivatives and Intermediates AXELLIA PHARMACEUTICALS APS (DK) 2007-11-22 US claimed
EP-1611149-A1 PROCESS FOR THE PREPARATION OF STEROIDAL CARBOTHIOIC ACID DERIVATIVES AND INTERMEDIATES Alpharma APS (DK) 2006-01-04 EP claimed
WO-2004087731-A1 PROCESS FOR THE PREPARATION OF STEROIDAL CARBOTHIOIC ACID DERIVATIVES AND INTERMEDIATES ALPHARMA APS (DK) 2004-10-14 WO claimed
US-20070270584-A1 Process for the Preparation of Steroidal Carbothioic Acid Derivatives and Intermediates AXELLIA PHARMACEUTICALS APS (DK) 2007-11-22 US disclosed
US-7214807-B2 Method for the preparation of fluticasone and related 17β-carbothioic esters using a novel carbothioic acid synthesis and novel purification methods ABBOTT LABORATORIES (US) 2007-05-08 US disclosed
EP-1611149-A1 PROCESS FOR THE PREPARATION OF STEROIDAL CARBOTHIOIC ACID DERIVATIVES AND INTERMEDIATES Alpharma APS (DK) 2006-01-04 EP disclosed
US-20040209854-A1 Method for the preparation of fluticasone and related 17beta-carbothioic esters using a novel carbothioic acid synthesis and novel purification methods ABBVIE INC. 2004-10-21 US disclosed
WO-2004087731-A1 PROCESS FOR THE PREPARATION OF STEROIDAL CARBOTHIOIC ACID DERIVATIVES AND INTERMEDIATES ALPHARMA APS (DK) 2004-10-14 WO disclosed
EP-1257531-B1 METHOD FOR THE PREPARATION OF CARBOTHIOIC ACIDS ABBOTT LAB (US) 2004-09-15 EP disclosed
EP-1257531-A2 METHOD FOR THE PREPARATION OF CARBOTHIOIC ACIDS Abbott Laboratories (US) 2002-11-20 EP disclosed
US-20020133032-A1 Method for the preparation of fluticasone and related 17beta-carbothioic esters using a novel carbothioic acid synthesis and novel purification methods ABBOTT LABORATORIES 2002-09-19 US disclosed
WO-2001062722-A2 METHOD FOR THE PREPARATION OF FLUTICASONE AND RELATED 17BETA-CARBOTHIOIC ESTERS USING A NOVEL CARBOTHIOIC ACID SYNTHESIS AND NOVEL PURIFICATION METHODS ABBOTT LABORATORIES (US) 2001-08-30 WO disclosed
US-4650610-A Androstane carbothioic acids GLAXO GROUP LIMITED (GB) 1987-03-17 US disclosed
US-4578221-A Androstane carbothioic acids GLAXO GROUP LIMITED (GB) 1986-03-25 US disclosed
US-4335121-A TOPICAL ANTIINFLAMMATORY AGENTS GLAXO GROUP LIMITED (GB) 1982-06-15 US disclosed
EP-0004741-A2 Thio etianic acid derivatives, their preparation and pharmaceutical use SYNTEX (U.S.A.) INC. (US) 1979-10-17 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 (3 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-20070270584-A1 Process for the Preparation of Steroidal Carbothioic Acid Derivatives and Intermediates CYP17A1, HSD17B7, NR5A1 MEN1 3718/4885KMT2A 2780/4885AKR1B10 975/4885
US-20020133032-A1 Method for the preparation of fluticasone and related 17beta-carbothioic esters using a novel carbothioic acid synthesis and novel purification methods HSD17B7, CYP17A1, NR5A1 MEN1 4103/4885KMT2A 2185/4885AKR1B10 1417/4885
US-20040209854-A1 Method for the preparation of fluticasone and related 17beta-carbothioic esters using a novel carbothioic acid synthesis and novel purification methods HSD17B7, CYP17A1, NR5A1 MEN1 4103/4885KMT2A 2185/4885AKR1B10 1417/4885

“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.