SCHEMBL18095863

SCHEMBL18095863

COc1cccc(C=C2SC(=S)N(CC(=O)O)C2=O)c1O

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CTNNB1 P35222 1/20 0.65
▸ TCF7L2 Q9NQB0 1/20 0.65
▸ AKR1B1 P15121 4/20 0.62
▸ PTPN1 P18031 2/20 0.61
▸ POLB P06746 3/20 0.60
▸ KMT2A Q03164 3/20 0.60
▸ MEN1 O00255 2/20 0.60
▸ USP2 O75604 1/20 0.55
▸ NCOA1 Q15788 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ NCOA3 Q9Y6Q9 1/20 0.55

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
SCHEMBL18095861 1.00 CTNNB1 (0.65) CTNNB1TCF7L2AKR1B1PTPN1POLB
SCHEMBL18102989 1.00 CTNNB1 (0.65) CTNNB1TCF7L2AKR1B1PTPN1POLB
SCHEMBL19999075 0.91 CTNNB1 (0.59) CTNNB1TCF7L2AKR1B1PTPN1POLB
SCHEMBL18095816 0.90 CTNNB1 (0.58) CTNNB1TCF7L2AKR1B1PTPN1POLB
SCHEMBL18095817 0.90 CTNNB1 (0.58) CTNNB1TCF7L2AKR1B1PTPN1POLB
SCHEMBL18103066 0.90 CTNNB1 (0.58) CTNNB1TCF7L2AKR1B1PTPN1POLB
SCHEMBL12008777 0.89 CTNNB1 (0.81) CTNNB1TCF7L2POLBKMT2AMEN1
SCHEMBL20534555 0.89 AKR1B1 (0.61) AKR1B1
SCHEMBL20534556 0.89 AKR1B1 (0.61) AKR1B1
SCHEMBL21773419 0.89 AKR1B1 (0.61) AKR1B1

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
EP-3374027-A1 RATIONAL DRUG DESIGN TARGETING RESISTANT GRAM-NEGATIVE BACTERIAL INFECTIONS TO POLYMYXIN-CLASS ANTIBIOTICS The Trustees of Columbia University in the City of New York (US) 2018-09-19 — — EP claimed
WO-2017083859-A1 RATIONAL DRUG DESIGN TARGETING RESISTANT GRAM-NEGATIVE BACTERIAL INFECTIONS TO POLYMYXIN-CLASS ANTIBIOTICS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-05-18 — — WO claimed
US-10501413-B2 Inhibitors of the Notch transcriptional activation complex and methods for use of the same UNIVERSITY OF MIAMI (US) 2019-12-10 — — US disclosed
EP-3374027-A1 RATIONAL DRUG DESIGN TARGETING RESISTANT GRAM-NEGATIVE BACTERIAL INFECTIONS TO POLYMYXIN-CLASS ANTIBIOTICS The Trustees of Columbia University in the City of New York (US) 2018-09-19 — — EP disclosed
US-20180086700-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX AND METHODS FOR USE OF THE SAME NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-03-29 — — US disclosed
EP-3282846-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX AND METHODS FOR USE OF THE SAME University of Miami (US) 2018-02-21 — — EP disclosed
WO-2017083859-A1 RATIONAL DRUG DESIGN TARGETING RESISTANT GRAM-NEGATIVE BACTERIAL INFECTIONS TO POLYMYXIN-CLASS ANTIBIOTICS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-05-18 — — WO disclosed
WO-2016154255-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX AND METHODS FOR USE OF THE SAME UNIVERSITY OF MIAMI (US) 2016-09-29 — — 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-10501413-B2 Inhibitors of the Notch transcriptional activation complex and methods for use of the same NOTCH1, CBFB, HES1 CTNNB1 551/4885TCF7L2 15/4885AKR1B1 3876/4885
US-20180086700-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX AND METHODS FOR USE OF THE SAME NOTCH1, CBFB, HES1 CTNNB1 551/4885TCF7L2 15/4885AKR1B1 3876/4885

“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.

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