Sugi Predict

Sugi Predict / Compounds / SCHEMBL4834980

SCHEMBL4834980

SCHEMBL4834980

C[C@]12CC[C@H]3[C@@H](CCC4CCCC[C@@H]43)[C@@H]1CCC2N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRD O14764 14/20 0.42
▸ GABRA1 P14867 14/20 0.42
▸ GABRB2 P47870 14/20 0.42
▸ GABRA4 P48169 14/20 0.42
▸ GABRP O00591 12/20 0.42
▸ GABRB1 P18505 12/20 0.42
▸ GABRG2 P18507 12/20 0.42
▸ GABRB3 P28472 12/20 0.42
▸ GABRA5 P31644 12/20 0.42
▸ GABRA3 P34903 12/20 0.42
▸ GABRA2 P47869 12/20 0.42
▸ GABRE P78334 12/20 0.42
▸ GABRA6 Q16445 12/20 0.42
▸ GABRG1 Q8N1C3 12/20 0.42
▸ GABRG3 Q99928 12/20 0.42
▸ GABRQ Q9UN88 12/20 0.42
▸ SHBG P04278 1/20 0.42
▸ CDK5 Q00535 1/20 0.33
▸ CDK5R1 Q15078 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL24165033 0.83 GABRP (0.41) GABRDGABRA1GABRB2GABRA4GABRP
SCHEMBL15164711 0.81 SHBG (0.62) GABRDGABRA1GABRB2GABRA4GABRP
SCHEMBL12178067 0.81 SHBG (0.62) GABRDGABRA1GABRB2GABRA4GABRP
SCHEMBL4833944 0.81 GABRD (0.42) GABRDGABRA1GABRB2GABRA4GABRP
SCHEMBL23569462 0.81 GABRA1 (0.42) GABRDGABRA1GABRB2GABRA4GABRP
SCHEMBL16189884 0.81 SHBG (0.62) GABRDGABRA1GABRB2GABRA4GABRP
SCHEMBL12178022 0.81 SHBG (0.62) GABRDGABRA1GABRB2GABRA4GABRP
SCHEMBL4312074 0.80 SHBG (0.45) GABRDGABRA1GABRB2GABRA4GABRP
SCHEMBL4311188 0.80 SHBG (0.45) GABRDGABRA1GABRB2GABRA4GABRP
SCHEMBL4303109 0.80 SHBG (0.45) GABRDGABRA1GABRB2GABRA4GABRP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7371741-B2 Estradiol derivatives and pharmaceutical compositions using same ENTREMED, INC. (US) 2008-05-13 — — US disclosed
US-20070135400-A1 Estradiol derivatives ENTREMED, INC. 2007-06-14 — — US disclosed
US-20070010505-A1 Methods of treating disease states using antiangiogenic agents ENTREMED, INC. 2007-01-11 — — US disclosed
EP-1633367-A2 ANTIANGIOGENIC AGENTS EntreMed, Inc. (US) 2006-03-15 — — EP disclosed
WO-2005030120-A2 ANTIANGIOGENIC AGENTS ENTREMED, INC. (US) 2005-04-07 — — WO disclosed
US-20050014737-A1 Antiangiogenic agents ENTREMED, INC. 2005-01-20 — — US 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-20070135400-A1 Estradiol derivatives ESR2, NR5A1, ESRRB GABRD 1634/4885GABRA1 2020/4885GABRB2 880/4885
US-20050014737-A1 Antiangiogenic agents VEGFA, TEK, FLT4 GABRD 3928/4885GABRA1 3057/4885GABRB2 2524/4885
US-20070010505-A1 Methods of treating disease states using antiangiogenic agents VEGFA, PGF, TEK GABRD 3286/4885GABRA1 2325/4885GABRB2 1810/4885

“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.