Sugi Predict

Sugi Predict / Compounds / SCHEMBL237566

SCHEMBL237566

SCHEMBL237566

COC(=O)[C@@H](N)Cc1ccc2ccccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.57
▸ HTR2C P28335 1/20 0.57
▸ HTR2B P41595 1/20 0.57
▸ PPARG P37231 2/20 0.54
▸ PPARD Q03181 2/20 0.54
▸ PPARA Q07869 2/20 0.54
▸ ALDH1A1 P00352 1/20 0.52
▸ TACR1 P25103 1/20 0.52
▸ DPP4 P27487 1/20 0.51
▸ MMP9 P14780 2/20 0.48
▸ MMP1 P03956 1/20 0.48
▸ MMP13 P45452 1/20 0.48
▸ ADAM17 P78536 1/20 0.48
▸ SLC1A3 P43003 1/20 0.48
▸ SLC1A2 P43004 1/20 0.48
▸ SLC1A1 P43005 1/20 0.48
▸ MC4R P32245 2/20 0.47
▸ MC5R P33032 2/20 0.47
▸ MC3R P41968 2/20 0.47
▸ OPRD1 P41143 1/20 0.47

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
SCHEMBL4633497 1.00 HTR2A (0.57) HTR2AHTR2CHTR2BPPARGPPARD
SCHEMBL5845125 1.00 HTR2A (0.57) HTR2AHTR2CHTR2BPPARGPPARD
Hydrochloric Acid SCHEMBL4633494 0.98 HTR2A (0.55) HTR2AHTR2CHTR2BPPARGPPARD
Hydrochloric Acid SCHEMBL237565 0.98 HTR2A (0.55) HTR2AHTR2CHTR2BPPARGPPARD
Hydrochloric Acid SCHEMBL2896538 0.98 HTR2A (0.55) HTR2AHTR2CHTR2BPPARGPPARD
SCHEMBL245249 0.87 HTR2A (0.55) HTR2AHTR2CHTR2BPPARGPPARD
SCHEMBL839943 0.87 HTR2A (0.55) HTR2AHTR2CHTR2BTACR1DPP4
SCHEMBL839749 0.87 HTR2A (0.55) HTR2AHTR2CHTR2BTACR1DPP4
SCHEMBL466696 0.87 HTR2A (0.55) HTR2AHTR2CHTR2BPPARGPPARD
SCHEMBL951825 0.87 ALDH1A1 (0.51) HTR2AALDH1A1TACR1OPRD1PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11224609-B2 Mithramycin derivatives having increased selectivity and anti-cancer activity UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2022-01-18 — — US disclosed
US-20190083519-A1 MITHRAMYCIN DERIVATIVES HAVING INCREASED SELECTIVITY AND ANTI-CANCER ACTIVITY UNITED STATES GOVERNMENT 2019-03-21 — — US disclosed
EP-2861581-B9 1,2,3,4-Tetrahydroisoquinoline-pyrrolidine derivatives as antagonists of apoptosis (IAPs) for the treatment of cancer. BRISTOL MYERS SQUIBB CO (US) 2017-08-30 — — EP disclosed
US-9605022-B2 Macrocyclic compounds for inhibition of inhibitors of apoptosis ENSEMBLE THERAPEUTICS CORPORATION (US) 2017-03-28 — — US disclosed
EP-2861581-B1 1,2,3,4-Tetrahydroisoquinoline-pyrrolidine derivatives as antagonists of apoptosis (IAPs) for the treatment of cancer. BRISTOL MYERS SQUIBB CO (US) 2017-02-01 — — EP disclosed
EP-2917218-B1 MACROCYCLIC COMPOUNDS FOR INHIBITION OF INHIBITORS OF APOPTOSIS ENSEMBLE THERAPEUTICS CORP (US) 2017-01-04 — — EP disclosed
EP-2917218-B1 MACROCYCLIC COMPOUNDS FOR INHIBITION OF INHIBITORS OF APOPTOSIS ENSEMBLE THERAPEUTICS CORP (US) 2017-01-04 — — EP disclosed
EP-2776409-B1 MACROCYCLIC COMPOUNDS FOR INHIBITION OF INHIBITORS OF APOPTOSIS ENSEMBLE THERAPEUTICS CORP (US) 2016-02-03 — — EP disclosed
US-20150284427-A1 MACROCYCLIC COMPOUNDS FOR INHIBITION OF INHIBITORS OF APOPTOSIS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-10-08 — — US disclosed
EP-2917228-A1 MACROCYCLIC COMPOUNDS FOR INHIBITION OF INHIBITORS OF APOPTOSIS Ensemble Therapeutics Corporation (US) 2015-09-16 — — EP disclosed
WO-1999006437-A1 SULFONYLATED DIPEPTIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS INC. (US) 1999-02-11 — — WO disclosed
WO-1999006433-A1 COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 1999-02-11 — — WO disclosed
WO-1999006435-A1 DIPEPTIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 1999-02-11 — — WO disclosed
WO-1999006436-A1 BENZYL COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 1999-02-11 — — WO disclosed
US-5140009-A Stable against proteolytic enzymes; anticarcinogenic agents; urogenital disorders TAP PHARMACEUTICALS, INC. (US) 1992-08-18 — — US disclosed
EP-0480918-A1 REDUCED SIZE LHRH ANALOGS ABBOTT LABORATORIES (US) 1992-04-22 — — EP disclosed
EP-0480918-A4 REDUCED SIZE LHRH ANALOGS. ABBOTT LAB (US) 1991-06-04 — — EP disclosed
EP-0417454-A2 Reduced size LHRH analogs ABBOTT LABORATORIES (US) 1991-03-20 — — EP disclosed
WO-1989007451-A1 REDUCED SIZE LHRH ANALOGS ABBOTT LABORATORIES (US) 1989-08-24 — — WO disclosed
EP-0328089-A2 Reduced size LHRH analogs ABBOTT LABORATORIES (US) 1989-08-16 — — EP 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-11224609-B2 Mithramycin derivatives having increased selectivity and anti-cancer activity TFAM, ELF3, TEAD4 HTR2A 3758/4885HTR2C 4410/4885HTR2B 3798/4885
US-20190083519-A1 MITHRAMYCIN DERIVATIVES HAVING INCREASED SELECTIVITY AND ANTI-CANCER ACTIVITY TFAM, ELF3, TEAD4 HTR2A 3758/4885HTR2C 4410/4885HTR2B 3798/4885
US-20150284427-A1 MACROCYCLIC COMPOUNDS FOR INHIBITION OF INHIBITORS OF APOPTOSIS BAX, API5, BCL2 HTR2A 4121/4885HTR2C 4459/4885HTR2B 4357/4885

“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.