Sugi Predict

Sugi Predict / Compounds / SCHEMBL497658

SCHEMBL497658

SCHEMBL497658

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.58
▸ KMT2A Q03164 3/20 0.58
▸ AKR1B10 O60218 2/20 0.58
▸ AKR1B1 P15121 2/20 0.58
▸ LMNA P02545 2/20 0.58
▸ EFNA1 P20827 1/20 0.58
▸ EPHA2 P29317 1/20 0.58
▸ PSEN1 P49768 1/20 0.58
▸ PSEN2 P49810 1/20 0.58
▸ GPBAR1 Q8TDU6 1/20 0.58
▸ APH1B Q8WW43 1/20 0.58
▸ NCSTN Q92542 1/20 0.58
▸ APH1A Q96BI3 1/20 0.58
▸ PSENEN Q9NZ42 1/20 0.58
▸ HSD17B10 Q99714 1/20 0.58
▸ TDP1 Q9NUW8 1/20 0.58
▸ GABRP O00591 4/20 0.54
▸ GABRD O14764 4/20 0.54
▸ GABRA1 P14867 4/20 0.54
▸ GABRB1 P18505 4/20 0.54

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
SCHEMBL6045004 1.00 MEN1 (0.58) MEN1KMT2AAKR1B10AKR1B1LMNA
SCHEMBL497657 1.00 MEN1 (0.58) MEN1KMT2AAKR1B10AKR1B1LMNA
SCHEMBL13988189 1.00 MEN1 (0.58) MEN1KMT2AAKR1B10AKR1B1LMNA
SCHEMBL11060164 1.00 MEN1 (0.58) MEN1KMT2AAKR1B10AKR1B1LMNA
SCHEMBL11345742 1.00 MEN1 (0.58) MEN1KMT2AAKR1B10AKR1B1LMNA
SCHEMBL6044996 1.00 MEN1 (0.58) MEN1KMT2AAKR1B10AKR1B1LMNA
SCHEMBL11696291 0.90 MEN1 (0.57) MEN1KMT2AAKR1B10AKR1B1LMNA
Acetic Acid SCHEMBL29519885 0.89 GABRP (0.66) MEN1KMT2AAKR1B10AKR1B1LMNA
SCHEMBL23872369 0.89 GABRA1 (0.69) MEN1KMT2AAKR1B10AKR1B1LMNA
SCHEMBL598324 0.89 GABRA1 (0.69) 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 74 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7935837-B2 Process for synthesis of androstane 17-β carbothioic acid and relative compounds thereof CORUM INC. (TW) 2011-05-03 — — US claimed
US-20090275767-A1 PROCESS FOR SYNTHESIS OF ANDROSTANE 17-BETA CARBOTHIOIC ACID AND RELATIVE COMPOUNDS THEREOF CORUM INC. (TW) 2009-11-05 — — US claimed
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
CN-115666704-A Ingestible device for delivery of therapeutic agents to the gastrointestinal tract 比奥拉治疗股份有限公司 2023-01-31 — — CN disclosed
CN-107406413-A C21H22Cl2N4O2Crystal modification of 生物医学谷探索股份有限公司 2017-11-28 — — CN disclosed
US-8106036-B2 Pharmaceutical compositions-4 HARBOR BIOSCIENCES, INC. (US) 2012-01-31 — — US disclosed
US-8022234-B2 Compounds and compositions HARBOR BIOSCIENCES, INC. (US) 2011-09-20 — — US disclosed
US-7947846-B2 15-OXA-steroid compounds HARBOR BIOSCIENCES, INC. (US) 2011-05-24 — — US disclosed
US-7935837-B2 Process for synthesis of androstane 17-β carbothioic acid and relative compounds thereof CORUM INC. (TW) 2011-05-03 — — US disclosed
US-7935837-B2 Process for synthesis of androstane 17-β carbothioic acid and relative compounds thereof CORUM INC. (TW) 2011-05-03 — — US disclosed
US-4261984-A ANTIINFLAMMATORY STEROIDS SYNTEX (U.S.A.) INC. (US) 1981-04-14 — — US disclosed
EP-0004741-B1 THIO ETIANIC ACID DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL USE SYNTEX (U.S.A.) INC. (US) 1981-01-28 — — EP disclosed
EP-0004741-B1 THIO ETIANIC ACID DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL USE SYNTEX (U.S.A.) INC. (US) 1981-01-28 — — EP disclosed
EP-0004741-A3 THIO ETIANIC ACID DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL USE — 1979-11-14 — — EP disclosed
EP-0004772-A2 4-Halo etianic acids and derivatives thereof, their pharmaceutical use and preparation SYNTEX (U.S.A.) INC. (US) 1979-10-17 — — EP disclosed
EP-0004741-A2 Thio etianic acid derivatives, their preparation and pharmaceutical use SYNTEX (U.S.A.) INC. (US) 1979-10-17 — — EP disclosed
EP-0004741-A2 Thio etianic acid derivatives, their preparation and pharmaceutical use SYNTEX (U.S.A.) INC. (US) 1979-10-17 — — EP 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 (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-20070270584-A1 Process for the Preparation of Steroidal Carbothioic Acid Derivatives and Intermediates CYP17A1, HSD17B7, NR5A1 MEN1 3718/4885KMT2A 2780/4885AKR1B10 975/4885
US-20090275767-A1 PROCESS FOR SYNTHESIS OF ANDROSTANE 17-BETA CARBOTHIOIC ACID AND RELATIVE COMPOUNDS THEREOF HSD17B11, HSD17B1, HSD17B7 MEN1 1227/4885KMT2A 2328/4885AKR1B10 217/4885

“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.