Sugi Predict

Sugi Predict / Compounds / SCHEMBL6697085

SCHEMBL6697085

SCHEMBL6697085

CCOC(=O)CC(c1c[nH]c2cc(OCc3ccccc3)ccc12)C(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ MDH2 P40926 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ TRPM8 Q7Z2W7 2/20 0.48
▸ ESR1 P03372 1/20 0.47
▸ IMPDH2 P12268 1/20 0.46
▸ HAT1 O14929 1/20 0.44
▸ EP300 Q09472 1/20 0.44
▸ GABRA1 P14867 2/20 0.43
▸ GABRG2 P18507 2/20 0.43
▸ GABRB3 P28472 2/20 0.43
▸ GABRA5 P31644 2/20 0.43
▸ GABRA3 P34903 2/20 0.43
▸ GABRA2 P47869 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ HSP90AA1 P07900 1/20 0.43
▸ HSP90AB1 P08238 1/20 0.43
▸ LTA4H P09960 1/20 0.43
▸ PLA2G2A P14555 1/20 0.43

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
SCHEMBL6697020 0.87 ALDH1A1 (0.49) ALDH1A1HPGDMDH2SMN1; SMN2TRPM8
SCHEMBL6696892 0.83 ALDH1A1 (0.49) ALDH1A1HPGDMDH2SMN1; SMN2TRPM8
SCHEMBL6696489 0.83 ALDH1A1 (0.49) ALDH1A1HPGDMDH2SMN1; SMN2TRPM8
SCHEMBL6170288 0.83 ALDH1A1 (0.49) ALDH1A1HPGDMDH2SMN1; SMN2TRPM8
SCHEMBL6697647 0.83 ALDH1A1 (0.52) ALDH1A1HPGDMDH2SMN1; SMN2TRPM8
SCHEMBL6696940 0.83 ALDH1A1 (0.49) ALDH1A1HPGDMDH2SMN1; SMN2TRPM8
SCHEMBL6696001 0.82 HTR2C (0.39) ALDH1A1HPGDSMN1; SMN2IMPDH2MEN1
SCHEMBL6702687 0.82 ALDH1A1 (0.48) ALDH1A1HPGDMDH2SMN1; SMN2TRPM8
SCHEMBL6696717 0.82 MGAM (0.49) ALDH1A1HPGDMDH2SMN1; SMN2TRPM8
SCHEMBL6695490 0.81 MGAM (0.49) ALDH1A1HPGDMDH2SMN1; SMN2TRPM8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040138284-A1 Indol-3-yl derivatives WIESNER MATTHIAS 2004-07-15 — — US disclosed
US-6743810-B2 INTEGRIN INHIBITORS; TUMORS, OSTEOPOROSIS, OSTEOLYTIC DISEASES, SUPPRESSING ANGIOGENESIS, ANTITHROMBOTIC MERCK PATENT GMBH (DE) 2004-06-01 — — US disclosed
US-20030045728-A1 Liberating 3-substituted indole compound from one of its functional derivatives by treatment with a solvolyzing or hydrogenating agent, amidation, saponification, alkylation or acylation, or salt formation MERCK PATENT GMBH (DE) 2003-03-06 — — US disclosed
EP-1254133-A2 INDOL-3-YL DERIVATIVES MERCK PATENT GmbH (DE) 2002-11-06 — — EP disclosed
WO-2001058893-A2 INDOL-3-YL DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITORS MERCK PATENT GMBH (DE) 2001-08-16 — — 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-20030045728-A1 Liberating 3-substituted indole compound from one of its functional derivatives by treatment with a solvolyzing or hydrogenating agent, amidation, saponification, alkylation or acylation, or salt formation IGF1R, IDO1, ITGB3 ALDH1A1 2063/4885HPGD 2025/4885MDH2 3995/4885
US-20040138284-A1 Indol-3-yl derivatives ITGB3, ITGB1, IGF1R ALDH1A1 2529/4885HPGD 3437/4885MDH2 3644/4885

“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.