Sugi Predict

Sugi Predict / Compounds / SCHEMBL2610033

SCHEMBL2610033

SCHEMBL2610033

COc1cc2c(cc1C(N)=O)CCC1C2CC[C@]2(C)C(O)CCC12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.72
▸ HSD17B10 Q99714 4/20 0.72
▸ CYP1A2 P05177 3/20 0.72
▸ CYP19A1 P11511 3/20 0.72
▸ CYP3A4 P08684 2/20 0.72
▸ CYP1A1 P04798 2/20 0.72
▸ CYP1B1 Q16678 2/20 0.72
▸ MEN1 O00255 2/20 0.72
▸ GAA P10253 2/20 0.72
▸ MAPT P10636 2/20 0.72
▸ KMT2A Q03164 2/20 0.72
▸ TSHR P16473 2/20 0.72
▸ CYP2C19 P33261 2/20 0.72
▸ TP53 P04637 1/20 0.72
▸ NFKB1 P19838 1/20 0.72
▸ THPO P40225 1/20 0.72
▸ GMNN O75496 1/20 0.72
▸ SHBG P04278 1/20 0.72
▸ MTOR P42345 1/20 0.72
▸ BLM P54132 1/20 0.72

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
SCHEMBL4782870 0.90 CA2 (0.65) LMNAHSD17B10CYP1A2CYP19A1CYP3A4
SCHEMBL14599349 0.90 CA2 (0.65) LMNAHSD17B10CYP1A2CYP19A1CYP3A4
SCHEMBL14305061 0.90 CA2 (0.65) LMNAHSD17B10CYP1A2CYP19A1CYP3A4
SCHEMBL2610030 0.90 CA2 (0.60) LMNAHSD17B10CYP1A2CYP19A1CYP3A4
SCHEMBL2610040 0.89 LMNA (0.60) LMNAHSD17B10CYP1A2CYP19A1CYP3A4
SCHEMBL1080502 0.87 HSD17B10 (0.85) LMNAHSD17B10CYP1A2CYP19A1CYP3A4
SCHEMBL10055286 0.86 CYP19A1 (0.71) LMNAHSD17B10CYP1A2CYP19A1CYP3A4
SCHEMBL2610034 0.86 CA2 (0.81) LMNAHSD17B10CYP1A2CYP19A1CYP3A4
2-Methoxyestradiol SCHEMBL23261536 0.84 CYP19A1 (1.00) LMNAHSD17B10CYP1A2CYP19A1CYP3A4
2-Methoxyestradiol SCHEMBL14252882 0.84 CYP19A1 (1.00) LMNAHSD17B10CYP1A2CYP19A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158612-B2 Methods of treating disease states using antiangiogenic agents ENTREMED, INC. (US) 2012-04-17 — — US disclosed
US-8158612-B2 Methods of treating disease states using antiangiogenic agents ENTREMED, INC. (US) 2012-04-17 — — US disclosed
US-20090105205-A1 METHODS OF TREATING DISEASE STATES USING ANTIANGIOGENIC AGENTS ENTREMED, INC. (US) 2009-04-23 — — US disclosed
US-20090105205-A1 METHODS OF TREATING DISEASE STATES USING ANTIANGIOGENIC AGENTS ENTREMED, INC. (US) 2009-04-23 — — US disclosed
US-7498322-B2 Antiangiogenic agents ENTREMED, INC. (US) 2009-03-03 — — US disclosed
US-7498322-B2 Antiangiogenic agents ENTREMED, INC. (US) 2009-03-03 — — US disclosed
US-20070004689-A1 Antiangiogenic agents ENTREMED, INC. 2007-01-04 — — US disclosed
US-20070004689-A1 Antiangiogenic agents ENTREMED, INC. 2007-01-04 — — 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 (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-20090105205-A1 METHODS OF TREATING DISEASE STATES USING ANTIANGIOGENIC AGENTS VEGFA, EGLN3, CCNH LMNA 3746/4885HSD17B10 390/4885CYP1A2 2617/4885
US-20070004689-A1 Antiangiogenic agents VEGFA, FLT4, HDGF LMNA 4303/4885HSD17B10 459/4885CYP1A2 2728/4885

“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.