Sugi Predict

Sugi Predict / Compounds / SCHEMBL1418992

SCHEMBL1418992

SCHEMBL1418992

C[C@]12CC[C@H]3[C@@H](CCC4C[C@@H](O)CC[C@@]43C)[C@@H]1C[C@@H](Br)[C@@H]2O

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 6/20 0.69
▸ LMNA P02545 4/20 0.69
▸ SHBG P04278 3/20 0.69
▸ SERPINA6 P08185 3/20 0.69
▸ CYP3A4 P08684 3/20 0.69
▸ CYP1A2 P05177 1/20 0.69
▸ CYP2C9 P11712 1/20 0.69
▸ TSHR P16473 1/20 0.69
▸ CYP2C19 P33261 1/20 0.69
▸ HSD17B10 Q99714 1/20 0.69
▸ G6PD P11413 2/20 0.64
▸ NR1I3 Q14994 1/20 0.60
▸ MEN1 O00255 2/20 0.60
▸ KMT2A Q03164 2/20 0.60
▸ MAPK1 P28482 1/20 0.60
▸ HSD17B3 P37058 1/20 0.60
▸ PMP22 Q01453 1/20 0.60
▸ AKR1B10 O60218 1/20 0.60
▸ AKR1B1 P15121 1/20 0.60

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
SCHEMBL6058843 1.00 GPBAR1 (0.69) GPBAR1LMNASHBGSERPINA6CYP3A4
SCHEMBL6450892 1.00 GPBAR1 (0.69) GPBAR1LMNASHBGSERPINA6CYP3A4
SCHEMBL5530806 1.00 GPBAR1 (0.69) GPBAR1LMNASHBGSERPINA6CYP3A4
SCHEMBL497468 1.00 GPBAR1 (0.69) GPBAR1LMNASHBGSERPINA6CYP3A4
SCHEMBL1418742 1.00 GPBAR1 (0.69) GPBAR1LMNASHBGSERPINA6CYP3A4
SCHEMBL497467 1.00 GPBAR1 (0.69) GPBAR1LMNASHBGSERPINA6CYP3A4
SCHEMBL5489583 1.00 GPBAR1 (0.69) GPBAR1LMNASHBGSERPINA6CYP3A4
SCHEMBL1418725 0.85 GPBAR1 (0.68) GPBAR1LMNASHBGSERPINA6CYP3A4
SCHEMBL6441377 0.85 GPBAR1 (0.68) GPBAR1LMNASHBGSERPINA6CYP3A4
SCHEMBL4944130 0.85 GPBAR1 (0.68) GPBAR1LMNASHBGSERPINA6CYP3A4

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150353596-A1 17-Substituted Steroid Compounds HOLLIS-EDEN PHARMACEUTICALS, INC. 2015-12-10 — — US disclosed
US-9115168-B2 Steroids having 7-oxygen and 17-heteroaryl substitution-3 NEURMEDIX, INC. (US) 2015-08-25 — — US disclosed
US-9102702-B2 Steroids having 7-oxygen and 17-heteroaryl substitution-2 NEURMEDIX INC. (US) 2015-08-11 — — US disclosed
US-20140018337-A1 Steroids Having 7-Oxygen and 17-Heteroaryl Substitution-3 Harbor Therapeutics, Inc. (US) 2014-01-16 — — US disclosed
US-20140018336-A1 Steroids Having 7-Oxygen and 17-Heteroaryl Substitution-2 Harbor Therapeutics, Inc. (US) 2014-01-16 — — US disclosed
US-8569275-B2 Steroids having 7-oxgen and 17-heteroaryl substitution Harbor Therapeutics, Inc. (US) 2013-10-29 — — US disclosed
US-20110212935-A1 COMPOSITIONS AND TREATMENT METHODS-4 HARBOR BIOSCIENCES, INC. (US) 2011-09-01 — — US disclosed
US-7935839-B2 Sepsis treatment methods HARBOR BIOSCIENCES, INC. (US) 2011-05-03 — — US disclosed
EP-2298315-A1 Therapeutic treatment methods Harbor BioSciences, Inc. (US) 2011-03-23 — — EP disclosed
EP-2298316-A1 Therapeutic treatment methods Harbor BioSciences, Inc. (US) 2011-03-23 — — EP disclosed
US-20070275938-A1 Therapeutic Treatment Methods BIOVIE INC. 2007-11-29 — — US disclosed
US-20070275937-A1 Therapeutic Treatment Methods BIOVIE INC. 2007-11-29 — — US disclosed
US-20070265236-A1 Asthma Treatment Methods BIOVIE INC. 2007-11-15 — — US disclosed
US-20070213309-A1 Sepsis Treatment Methods BIOVIE INC. 2007-09-13 — — US disclosed
US-20070203107-A1 Pharmaceutical compositions HOLLIS-EDEN PHARMACEUTICALS, INC. (US) 2007-08-30 — — US disclosed
EP-1539183-A4 THERAPEUTIC TREATMENT METHODS HOLLIS EDEN PHARMACEUTICALS (US) 2007-04-25 — — EP disclosed
EP-1539183-A1 THERAPEUTIC TREATMENT METHODS Hollis-Eden Pharmaceuticals Inc. (US) 2005-06-15 — — EP disclosed
US-20050101581-A1 Therapeutic treatment methods 2 BIOVIE INC. 2005-05-12 — — US disclosed
US-20040138187-A1 Therapeutic treatment methods BIOVIE INC. 2004-07-15 — — US disclosed
WO-2004019953-A1 THERAPEUTIC TREATMENT METHODS HOLLIS-EDEN PHARMACEUTICALS, INC. (US) 2004-03-11 — — 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 (11 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-20070275938-A1 Therapeutic Treatment Methods HSD3B1, HSD3B2, HSD17B1 GPBAR1 184/4885LMNA 3176/4885SHBG 92/4885
US-20070275937-A1 Therapeutic Treatment Methods HSD3B1, HSD3B2, HSD17B1 GPBAR1 184/4885LMNA 3176/4885SHBG 92/4885
US-20110212935-A1 COMPOSITIONS AND TREATMENT METHODS-4 HSD3B1, HSD3B2, HSD17B13 GPBAR1 200/4885LMNA 3063/4885SHBG 92/4885
US-20150353596-A1 17-Substituted Steroid Compounds HSD3B1, HSD3B2, HSD17B13 GPBAR1 216/4885LMNA 3127/4885SHBG 55/4885
US-20140018336-A1 Steroids Having 7-Oxygen and 17-Heteroaryl Substitution-2 HSD3B1, HSD3B2, HSD17B13 GPBAR1 295/4885LMNA 3602/4885SHBG 104/4885
US-20140018337-A1 Steroids Having 7-Oxygen and 17-Heteroaryl Substitution-3 HSD3B1, HSD3B2, HSD17B13 GPBAR1 289/4885LMNA 3560/4885SHBG 102/4885
US-20070265236-A1 Asthma Treatment Methods HSD3B1, HSD3B2, HSD17B13 GPBAR1 258/4885LMNA 3331/4885SHBG 178/4885
US-20050101581-A1 Therapeutic treatment methods 2 HSD3B2, HSD3B1, HSD17B2 GPBAR1 187/4885LMNA 2777/4885SHBG 100/4885
US-20040138187-A1 Therapeutic treatment methods ELANE, ALOX15, IL15 GPBAR1 244/4885LMNA 3502/4885SHBG 93/4885
US-20070213309-A1 Sepsis Treatment Methods HSD3B1, ELANE, HSD3B2 GPBAR1 229/4885LMNA 2601/4885SHBG 119/4885
US-20070203107-A1 Pharmaceutical compositions HSD3B1, HSD3B2, HSD17B13 GPBAR1 201/4885LMNA 2829/4885SHBG 107/4885

“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.