Sugi Predict

Sugi Predict / Compounds / SCHEMBL3364597

SCHEMBL3364597

SCHEMBL3364597

C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(O)C(CC(=O)O)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SHBG P04278 6/20 0.63
▸ NR3C1 P04150 3/20 0.63
▸ ALDH1A1 P00352 3/20 0.63
▸ PGR P06401 2/20 0.63
▸ ADRA1A P35348 1/20 0.63
▸ HTR2B P41595 1/20 0.63
▸ LMNA P02545 6/20 0.61
▸ SMN1; SMN2 Q16637 5/20 0.61
▸ SERPINA6 P08185 5/20 0.61
▸ BLM P54132 4/20 0.61
▸ CYP2C19 P33261 3/20 0.61
▸ MEN1 O00255 2/20 0.61
▸ KMT2A Q03164 2/20 0.61
▸ MAPT P10636 2/20 0.61
▸ ADORA3 P0DMS8 1/20 0.61
▸ MAPK3 P27361 1/20 0.61
▸ SLC6A3 Q01959 1/20 0.61
▸ HSD17B10 Q99714 5/20 0.61
▸ TSHR P16473 3/20 0.61
▸ PMP22 Q01453 3/20 0.61

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
SCHEMBL8813343 0.89 SHBG (0.64) SHBGNR3C1ALDH1A1PGRADRA1A
SCHEMBL28784862 0.86 SHBG (0.69) SHBGNR3C1ALDH1A1PGRADRA1A
SCHEMBL10709127 0.85 SHBG (0.60) SHBGNR3C1ALDH1A1PGRADRA1A
SCHEMBL8814841 0.85 SHBG (0.67) SHBGNR3C1ALDH1A1PGRADRA1A
SCHEMBL20960006 0.83 SHBG (0.74) SHBGNR3C1ALDH1A1PGRADRA1A
SCHEMBL18884076 0.83 SHBG (0.74) SHBGNR3C1ALDH1A1PGRADRA1A
SCHEMBL8812441 0.82 SHBG (0.61) SHBGNR3C1ALDH1A1PGRADRA1A
SCHEMBL24437560 0.82 SHBG (0.72) SHBGNR3C1ALDH1A1PGRADRA1A
SCHEMBL572150 0.82 SHBG (0.72) SHBGNR3C1ALDH1A1PGRADRA1A
SCHEMBL20781184 0.82 SHBG (0.72) SHBGNR3C1ALDH1A1PGRADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103272231-A Vaccine for immunizing sheep for producing twins and preparation method thereof LANZHOU INST ANIMAL SCIENCE & VETERINARY PHARMACEUTICS CAAS 2013-09-04 — — CN disclosed
US-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-01-14 — — US disclosed
US-20080161324-A1 Compositions and methods for treatment of viral diseases EXCRX (SINGAPORE) PTE. LTD. (F.K.A. COMBINATORX (SINGAPORE) PTE LTD.) (SG) 2008-07-03 — — US disclosed
WO-2008033466-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PRE. LTD. (SG) 2008-03-20 — — 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-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES HTR1A, HTR3B, HTR3A SHBG 595/4885NR3C1 527/4885ALDH1A1 2240/4885
US-20080161324-A1 Compositions and methods for treatment of viral diseases HAVCR2, EIF2AK2, RNASE1 SHBG 1022/4885NR3C1 1596/4885ALDH1A1 785/4885

“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.