Sugi Predict

Sugi Predict / Compounds / SCHEMBL2675592

SCHEMBL2675592

SCHEMBL2675592

O=[C]C(Oc1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 1/20 0.39
▸ SLC6A4 P31645 1/20 0.38
▸ SRD5A2 P31213 2/20 0.37
▸ SCN4A P35499 2/20 0.35
▸ ADRA2A P08913 1/20 0.35
▸ ADRA2B P18089 1/20 0.35
▸ ADRA2C P18825 1/20 0.35
▸ LTA4H P09960 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ ATM Q13315 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ MTNR1A P48039 1/20 0.33
▸ MTNR1B P49286 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ PTGS1 P23219 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
SCHEMBL28307068 0.78 SLC6A4 (0.38) CHRM1SLC6A4SRD5A2SCN4AADRA2A
SCHEMBL28489801 0.78 SLC6A4 (0.38) CHRM1SLC6A4SRD5A2SCN4AADRA2A
SCHEMBL6425390 0.78 TSHR (0.45) SLC6A4SRD5A2SCN4AADRA2AADRA2B
SCHEMBL27418681 0.76 SRC (0.39) TSHRL3MBTL1LMNAKMT2ACYP2D6
SCHEMBL11176872 0.76 CYP2D6 (0.34) TSHRLMNAKMT2ACYP2D6SRC
SCHEMBL7704413 0.76 KMT2A (0.42) TSHRL3MBTL1MEN1LMNAKMT2A
SCHEMBL7306869 0.76 KMT2A (0.42) TSHRL3MBTL1MEN1LMNAKMT2A
SCHEMBL188510 0.76 KMT2A (0.42) TSHRL3MBTL1MEN1LMNAKMT2A
SCHEMBL9392027 0.75 SLC6A4 (0.36) CHRM1SLC6A4SRD5A2SCN4AADRA2A
SCHEMBL7988779 0.75 SLC6A2 (0.46) CHRM1SLC6A4SCN4AADRA2BTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1399468-B1 2-((N-(2-AMINO-3-(HETEROARYL OR ARYL)PROPIONYL)-AMINOACYL)-AMINO)-ALKYLBORONIC ACID DERIVATIVES NOVARTIS AG (CH) 2006-02-15 — — EP claimed
US-6933290-B2 2-{N-(2-amino-3-(heteroaryl or aryl)propionyl)-aminoacyl}-amino}-alkylboronic acid derivatives NOVARTIS AG (CH) 2005-08-23 — — US claimed
US-20040167337-A1 2-{[n-(2-amino-3-(heteroaryl or aryl)propionyl)-aminoacyl}-amino}-alkylboronic acid derivatives NOVARTIS AG (CH) 2004-08-26 — — US claimed
EP-1399468-A1 2-((N-(2-AMINO-3-(HETEROARYL OR ARYL)PROPIONYL)-AMINOACYL)-AMINO)-ALKYLBORONIC ACID DERIVATIVES Novartis AG (CH) 2004-03-24 — — EP claimed
WO-2002096933-A1 2-{[N-(2-AMINO-3-(HETEROARYL OR ARYL)PROPIONYL)-AMINOACYL]-AMINO}-ALKYLBORONIC ACID DERIVATIVES NOVARTIS AG (CH) 2002-12-05 — — WO claimed
US-4199596-A ESTERS, INSECTICIDES, MITICIDES BAYER AKTIENGESELLSCHAFT (DE) 1980-04-22 — — US claimed
US-8173128-B2 Methods and compositions for inducing apoptosis in cancer cells with an anti-DR5 antibody IRM LLC (BM) 2012-05-08 — — US disclosed
CN-1750843-B Methods and compositions for inducing apoptosis in cancer cells IRM LLC 2011-09-28 — — CN disclosed
EP-1576179-B1 METHODS AND COMPOSITIONS FOR INDUCING APOPTOSIS IN CANCER CELLS IRM LLC (BM) 2010-09-15 — — EP disclosed
WO-2008154439-A1 METHODS AND COMPOSITIONS FOR INDUCING APOPTOSIS IN CANCER CELLS IRM LLC (BM) 2008-12-18 — — WO disclosed
WO-2008066854-A2 METHODS AND COMPOSITIONS FOR INDUCING APOPTOSIS IN CANCER CELLS NOVARTIS AG (CH) 2008-06-05 — — WO disclosed
US-7229617-B2 Methods and compositions for inducing apoptosis in cancer cells IRM LLC (BM) 2007-06-12 — — US disclosed
US-20070128204-A1 Methods and compositions for inducing apoptosis in cancer cells IRM LLC (BM) 2007-06-07 — — US disclosed
US-4013648-A BETA-LACTAM ANTIBIOTICS BRISTOL-MYERS COMPANY (US) 1977-03-22 — — US disclosed
US-4013650-A PROCESS FOR THE MANUFACTURE OF 3-METHYLENE-CEPHAM COMPOUNDS CIBA-GEIGY CORPORATION (US) 1977-03-22 — — US disclosed
US-4012383-A BACTERICIDES BRISTOL-MYERS COMPANY (US) 1977-03-15 — — US disclosed
US-4011216-A Δ2,3-0-2-Isocephem-4-carboxylic acid and derivatives thereof as antibacterial agents BRISTOL-MYERS COMPANY (US) 1977-03-08 — — US disclosed
US-3989695-A 7β-Amino-cepham-3-ol-4-carboxylic acid compounds CIBA-GEIGY CORPORATION (US) 1976-11-02 — — US disclosed
US-3932392-A DICYCLOHEXYLAMINE, DIISOPROPYLAMINE BRISTOL-MYERS COMPANY (US) 1976-01-13 — — US disclosed
US-3932465-A ANTIBIOTIC CIBA-GEIGY CORPORATION (US) 1976-01-13 — — 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-20040167337-A1 2-{[n-(2-amino-3-(heteroaryl or aryl)propionyl)-aminoacyl}-amino}-alkylboronic acid derivatives AADAT, BCAT1, BCAT2 CHRM1 4732/4885SLC6A4 3093/4885SRD5A2 2352/4885
US-20070128204-A1 Methods and compositions for inducing apoptosis in cancer cells BAD, BAX, BID CHRM1 4689/4885SLC6A4 4826/4885SRD5A2 3680/4885

“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.