SCHEMBL17298166

SCHEMBL17298166

CCOC(=O)CC1CCSC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
ALDH1A1 P00352 5/20 0.36
TRPA1 O75762 1/20 0.36
KMT2A Q03164 2/20 0.34
LMNA P02545 2/20 0.34
HSD17B10 Q99714 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 1/20 0.34
HPGD P15428 1/20 0.34
POLB P06746 2/20 0.34
TDP1 Q9NUW8 2/20 0.33
TSHR P16473 2/20 0.33
CYP1A2 P05177 1/20 0.32
SMYD3 Q9H7B4 1/20 0.32
USP2 O75604 1/20 0.32
ALOX15 P16050 1/20 0.32
JAK2 O60674 1/20 0.32

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
SCHEMBL17298111 0.90 GAA (0.36) MGAMGAASIMGAM2ALDH1A1
SCHEMBL6615786 0.89 MGAM (0.41) MGAMGAASIMGAM2ALDH1A1
SCHEMBL16235678 0.85 MGAM (0.44) MGAMGAASIMGAM2ALDH1A1
SCHEMBL2721040 0.78
SCHEMBL7289882 0.75 ALDH1A1 (0.44) MGAMGAASIMGAM2ALDH1A1
SCHEMBL1439129 0.75 TDP1 (0.48) MGAMGAASIMGAM2ALDH1A1
SCHEMBL1881523 0.75 ALDH1A1 (0.46) MGAMGAASIMGAM2ALDH1A1
SCHEMBL6618644 0.75 GAA (0.35) MGAMGAASIMGAM2ALDH1A1
SCHEMBL2918425 0.75 MGAM (0.35) MGAMGAASIMGAM2ALDH1A1
SCHEMBL25311355 0.73 TDP1 (0.50) MGAMGAASIMGAM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106536489-B Retinoid-related orphan receptor gamma modulators and uses thereof 葛兰素史密斯克莱知识产权发展有限公司 2020-02-07 CN disclosed
EP-3148975-B1 PIPERAZINE DERIVATIVES AS ROR-GAMMA MODULATORS GLAXOSMITHKLINE IP DEV LTD (GB) 2018-11-28 EP disclosed
US-9902735-B2 Heteroaryl substituted compounds as RORγ inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-02-27 US disclosed
US-9902735-B2 Heteroaryl substituted compounds as RORγ inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-02-27 US disclosed
US-9902735-B2 Heteroaryl substituted compounds as RORγ inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-02-27 US disclosed
US-20170197978-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-07-13 US disclosed
US-20170197978-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-07-13 US disclosed
US-20170197978-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-07-13 US disclosed
WO-2015180612-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-12-03 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 (1 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-20170197978-A1 NOVEL COMPOUNDS RORC, RORB, RORA MGAM 4568/4885GAA 2400/4885SI 4085/4885

“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.