SCHEMBL1799330

SCHEMBL1799330

Nc1scc(-c2ccccc2)c1C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.69
ALDH1A1 P00352 8/20 0.69
MEN1 O00255 7/20 0.69
PRKCZ Q05513 5/20 0.69
LMNA P02545 3/20 0.69
HPGD P15428 3/20 0.69
MAPT P10636 6/20 0.51
RAB9A P51151 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 2/20 0.51
SLC12A2 P55011 1/20 0.51
SLC12A5 Q9H2X9 1/20 0.51
HSD17B10 Q99714 6/20 0.50
TSHR P16473 3/20 0.50
MAPK1 P28482 1/20 0.50
NLRP3 Q96P20 1/20 0.48
BCAT2 O15382 1/20 0.47
PKM P14618 2/20 0.47
KDM4E B2RXH2 2/20 0.47
POLB P06746 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
SCHEMBL8188234 0.96 KMT2A (0.65) KMT2AALDH1A1MEN1PRKCZLMNA
SCHEMBL2368807 0.87 ALDH1A1 (0.67) KMT2AALDH1A1MEN1PRKCZLMNA
SCHEMBL13838083 0.87 PRKCZ (0.61) KMT2AALDH1A1MEN1PRKCZLMNA
SCHEMBL3980970 0.86 ALDH1A1 (0.65) KMT2AALDH1A1MEN1PRKCZLMNA
SCHEMBL26038507 0.86 PRKCZ (0.69) KMT2AALDH1A1MEN1PRKCZLMNA
SCHEMBL8196570 0.86 ALDH1A1 (0.62) KMT2AALDH1A1MEN1PRKCZLMNA
SCHEMBL13926187 0.84 ALDH1A1 (0.70) KMT2AALDH1A1MEN1PRKCZLMNA
SCHEMBL2367950 0.84 PRKCZ (0.63) KMT2AALDH1A1MEN1PRKCZLMNA
SCHEMBL2368512 0.84 PRKCZ (0.68) KMT2AALDH1A1MEN1PRKCZLMNA
SCHEMBL13926190 0.84 PRKCZ (0.51) KMT2AALDH1A1MEN1PRKCZLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230227466-A1 SUBSTITUTED THIENOPYRIMIDINES THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY THERAPEUTICS, LLC 2023-07-20 US disclosed
WO-2020139803-A1 BENZOTHIADIAZINE DERIVATIVES AND COMPOSITIONS COMPRISING THE SAME FOR TREATING DISORDERS MEDIATED BY ADENOSINE DCB-USA LLC (US) 2020-07-02 WO disclosed
CN-102803269-B Thieno [2,3-B ] pyrimidinedione activators of AMPK and therapeutic uses thereof POXEL (FR) 2016-01-13 CN disclosed
WO-2015075051-A1 ALLOSTERIC INHIBITORS OF ATYPICAL PROTEIN KINASES C UNIVERSITAET DES SAARLANDES (DE) 2015-05-28 WO disclosed
CN-1823071-B Thienopyrimidine derivatives as potassium channel inhibitors XENTION DISCOVERY LTD 2012-12-19 CN disclosed
WO-2012166891-A2 MU-OPIOID RECEPTOR BINDING COMPOUNDS ALGYNOMICS INC. (US) 2012-12-06 WO disclosed
CN-102803269-A Thieno [2,3-B ] pyrimidinedione activators of AMPK and therapeutic uses thereof POXEL 2012-11-28 CN disclosed
US-7951806-B2 Plasminogen activator inhibitor-1 inhibitor RENASCIENCE CO., LTD. (JP) 2011-05-31 US disclosed
US-20090124620-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR RENASCIENCE CO., LTD. (JP) 2009-05-14 US disclosed
CN-1823071-A Thienopyrimidine derivatives as potassium channel inhibitors XENTION DISCOVERY LTD (GB) 2006-08-23 CN disclosed
US-4866065-A ANTICONVULSANTS, ANXIOLYTIC AGENTS, HYPNOTICS, AND COGNITION ACTIVATORS A/S FERROSAN (DK) 1989-09-12 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-20090124620-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR SERPINE1, SERPINC1, SERPINB1 KMT2A 3782/4885ALDH1A1 800/4885MEN1 582/4885
US-20230227466-A1 SUBSTITUTED THIENOPYRIMIDINES THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE KRAS, G3BP1, NRAS KMT2A 3255/4885ALDH1A1 2378/4885MEN1 2741/4885

“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.