SCHEMBL6845476

SCHEMBL6845476

CC1(C)OC[C@@H](CON2C(=O)c3ccccc3C2=O)O1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CA2 P00918 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
HPGD P15428 2/20 0.42
POLB P06746 1/20 0.42
ATM Q13315 1/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
PKM P14618 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
CASP1 P29466 1/20 0.42
BLM P54132 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL4860306 1.00 ALDH1A1 (0.45) ALDH1A1NPSR1CA2MEN1KMT2A
SCHEMBL30486880 1.00 ALDH1A1 (0.45) ALDH1A1NPSR1CA2MEN1KMT2A
SCHEMBL4860312 1.00 ALDH1A1 (0.45) ALDH1A1NPSR1CA2MEN1KMT2A
SCHEMBL10305099 0.87 GAA (0.47) ALDH1A1NPSR1CA2MEN1KMT2A
SCHEMBL4860844 0.87 GAA (0.47) ALDH1A1NPSR1CA2MEN1KMT2A
SCHEMBL10305084 0.87 GAA (0.47) ALDH1A1NPSR1CA2MEN1KMT2A
SCHEMBL12767468 0.86 RECQL (0.46) ALDH1A1NPSR1MEN1KMT2AHPGD
SCHEMBL12767504 0.86 RECQL (0.46) ALDH1A1NPSR1MEN1KMT2AHPGD
SCHEMBL9183556 0.85 GAA (0.45) ALDH1A1MEN1KMT2AHPGDPOLB
SCHEMBL7002095 0.79 GAA (0.51) ALDH1A1MEN1KMT2AHPGDATM

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
US-20180186814-A1 TRICYCLIC COMPOUND HAVING SULFINYL OR SULFONYL SHIONOGI & CO., LTD. (JP) 2018-07-05 US disclosed
US-20180186814-A1 TRICYCLIC COMPOUND HAVING SULFINYL OR SULFONYL SHIONOGI & CO., LTD. (JP) 2018-07-05 US disclosed
EP-1467965-A1 N-(4-SUBSTITUTED PHENYL)-ANTHRANILIC ACID HYDROXAMATE ESTERS Warner-Lambert Company LLC (US) 2004-10-20 EP disclosed
US-6770778-B2 MAP KINASE INHIBITORS; ANTICARCINOGENIC AGENTS; RESTENOSIS, PSORIASIS, AND ATHEROSCLEROSIS TREATMENT; ANTIARTHRITIC AGENTS; CARDIOVASCULAR DISORDERS PFIZER INC 2004-08-03 US disclosed
US-20030232889-A1 N-(4-substituted phenyl)-anthranilic acid hydroxamate esters WARNET-LAMBERT COMPANY LLC 2003-12-18 US disclosed
WO-2003062189-A1 N-(4-SUBSTITUTED PHENYL)-ANTHRANILIC ACID HYDROXAMATE ESTERS WARNER-LAMBERT COMPANY LLC (US) 2003-07-31 WO disclosed
US-4965270-A Viricides BEECHAM GROUP P.L.C. (GB) 1990-10-23 US disclosed
EP-0294069-A2 Purine compounds, process for their preparation, intermediates and pharmaceutical compositions BEECHAM GROUP PLC (GB) 1988-12-07 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 (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-20030232889-A1 N-(4-substituted phenyl)-anthranilic acid hydroxamate esters AADAC, EGLN3, HCAR2 ALDH1A1 363/4885NPSR1 1424/4885CA2 338/4885
US-20180186814-A1 TRICYCLIC COMPOUND HAVING SULFINYL OR SULFONYL SULT1E1, ABCC5, ABCC4 ALDH1A1 2855/4885NPSR1 2171/4885CA2 859/4885

“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.