SCHEMBL16919785

SCHEMBL16919785

O=C(Nc1ccc(S(=O)(=O)N2CCC(O)CC2)cc1)c1ccc([N+](=O)[O-])o1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DDIT3 P35638 15/20 1.00
RAB9A P51151 4/20 0.77
MAPT P10636 3/20 0.77
KMT2A Q03164 3/20 0.77
POLB P06746 3/20 0.63
MITF O75030 2/20 0.63
GAA P10253 2/20 0.63
HTT P42858 2/20 0.63
MEN1 O00255 2/20 0.63
ALDH1A1 P00352 1/20 0.63
LMNA P02545 1/20 0.63
NPC1 O15118 3/20 0.59
CSF1R P07333 1/20 0.58

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
SCHEMBL16912991 0.92 DDIT3 (1.00) DDIT3RAB9AMAPTKMT2APOLB
SCHEMBL16912990 0.92 DDIT3 (1.00) DDIT3RAB9AMAPTKMT2APOLB
SCHEMBL16913004 0.91 DDIT3 (1.00) DDIT3RAB9AMAPTKMT2APOLB
SCHEMBL16919789 0.89 DDIT3 (1.00) DDIT3RAB9AMAPTKMT2APOLB
SCHEMBL16912994 0.89 DDIT3 (1.00) DDIT3RAB9AMAPTKMT2APOLB
SCHEMBL16913006 0.88 DDIT3 (1.00) DDIT3RAB9AMAPTKMT2APOLB
SCHEMBL16919773 0.87 DDIT3 (1.00) DDIT3RAB9AMAPTKMT2APOLB
SCHEMBL16919786 0.86 DDIT3 (1.00) DDIT3RAB9AMAPTKMT2APOLB
SCHEMBL16913001 0.84 DDIT3 (1.00) DDIT3RAB9AMAPTKMT2APOLB
SCHEMBL16919794 0.82 DDIT3 (1.00) DDIT3RAB9AMAPTKMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10787439-B2 Compounds and methods for activating the apoptotic arm of the unfolded protein response UNIVERSITY OF KANSAS (US) 2020-09-29 US disclosed
US-20170334889-A1 COMPOUNDS AND METHODS FOR ACTIVATING THE APOPTOTIC ARM OF THE UNFOLDED PROTEIN RESPONSE UNIVERSITY OF KANSAS 2017-11-23 US disclosed
US-20170334889-A1 COMPOUNDS AND METHODS FOR ACTIVATING THE APOPTOTIC ARM OF THE UNFOLDED PROTEIN RESPONSE UNIVERSITY OF KANSAS 2017-11-23 US disclosed
US-9732067-B2 Compounds and methods for activating the apoptotic arm of the unfolded protein response UNIVERSITY OF KANSAS (US) 2017-08-15 US disclosed
US-9732067-B2 Compounds and methods for activating the apoptotic arm of the unfolded protein response UNIVERSITY OF KANSAS (US) 2017-08-15 US disclosed
US-20150203477-A1 COMPOUNDS AND METHODS FOR ACTIVATING THE APOPTOTIC ARM OF THE UNFOLDED PROTEIN RESPONSE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-07-23 US disclosed
US-20150203477-A1 COMPOUNDS AND METHODS FOR ACTIVATING THE APOPTOTIC ARM OF THE UNFOLDED PROTEIN RESPONSE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-07-23 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 (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-20150203477-A1 COMPOUNDS AND METHODS FOR ACTIVATING THE APOPTOTIC ARM OF THE UNFOLDED PROTEIN RESPONSE IAPP, TFEB, GBA1 DDIT3 30/4885RAB9A 1553/4885MAPT 417/4885
US-10787439-B2 Compounds and methods for activating the apoptotic arm of the unfolded protein response IAPP, TFEB, GBA1 DDIT3 30/4885RAB9A 1553/4885MAPT 417/4885
US-20170334889-A1 COMPOUNDS AND METHODS FOR ACTIVATING THE APOPTOTIC ARM OF THE UNFOLDED PROTEIN RESPONSE IAPP, TFEB, GBA1 DDIT3 30/4885RAB9A 1553/4885MAPT 417/4885

“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.