SCHEMBL4263557

SCHEMBL4263557

COC(=O)C1CSCC1O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM3 P20309 1/20 0.34
SLC6A4 P31645 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP2C19 P33261 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 1/20 0.31

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
SCHEMBL8969972 1.00 CHRM2 (0.34) CHRM2CHRM4CHRM3SLC6A4KMT2A
SCHEMBL68475 0.86 CHRM2 (0.38) CHRM2CHRM4CHRM3KMT2ACYP3A4
SCHEMBL14593867 0.82 CHRM2 (0.35) CHRM2CHRM4CHRM3SLC6A4KMT2A
SCHEMBL2642097 0.82 CHRM2 (0.35) CHRM2CHRM4CHRM3SLC6A4KMT2A
SCHEMBL14593887 0.82 CHRM2 (0.35) CHRM2CHRM4CHRM3SLC6A4KMT2A
SCHEMBL8972064 0.78 PPM1B (0.37) CHRM2CHRM4CHRM3KMT2ACYP3A4
SCHEMBL16079938 0.78 CHRM2 (0.34) CHRM2CHRM4CHRM3KMT2ACYP3A4
SCHEMBL3918398 0.78 CHRM2 (0.34) CHRM2CHRM4CHRM3KMT2ACYP3A4
SCHEMBL8969151 0.78 TSHR (0.33) TSHR
SCHEMBL8970421 0.78 CYP1A2 (0.36) KMT2ACYP1A2TSHRHSD17B10CYP2C19

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
US-20230348453-A1 HALOGENATED-HETEROARYL AND OTHER HETEROCYCLIC KINASE INHIBITORS, AND USES THEREOF IOMX THERAPEUTICS AG (DE) 2023-11-02 US disclosed
CN-108368081-B Andrographolide modified compound 黑龙江珍宝岛药业股份有限公司 2021-07-09 CN disclosed
US-10717720-B2 Modified compound of andrographolide HEILONGJIANG ZHENBAODAO PHARMACEUTICAL CO., LTD. (CN) 2020-07-21 US disclosed
US-20180346438-A1 MODIFIED COMPOUND OF ANDROGRAPHOLIDE MEDSHINE DISCOVERY INC. (CN) 2018-12-06 US disclosed
US-20090137822-A1 Process for preparing 3-substituted thiophene UBE INDUSTRIES, LTD. (JP) 2009-05-28 US disclosed
EP-0376294-B1 Optically active compounds, liquid crystal compositions comprising said compounds, and liquid crystal optical modulators using said compositions HITACHI LTD (JP) 1996-03-13 EP disclosed
US-5370821-A Optically active compounds, liquid crystal compositions comprising said compounds, and liquid crystal optical modulators using said compositions TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-12-06 US disclosed
US-5269965-A Optically active compounds, liquid crystal compositions comprising said compounds and liquid crystal optical modulators using said compositions TAKEDA CHEMICAL INDUSTRIES (JP) 1993-12-14 US disclosed
EP-0376294-A1 Optically active compounds, liquid crystal compositions comprising said compounds, and liquid crystal optical modulators using said compositions HITACHI, LTD. (JP) 1990-07-04 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 (4 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-20230348453-A1 HALOGENATED-HETEROARYL AND OTHER HETEROCYCLIC KINASE INHIBITORS, AND USES THEREOF ABL1, PRKDC, PRKACA CHRM2 4736/4885CHRM4 4780/4885CHRM3 4464/4885
US-10717720-B2 Modified compound of andrographolide CYP11B2, CYP11B1, DUSP23 CHRM2 3835/4885CHRM4 4525/4885CHRM3 3883/4885
US-20090137822-A1 Process for preparing 3-substituted thiophene TMT1A, CTH, CBR1 CHRM2 2231/4885CHRM4 1712/4885CHRM3 1714/4885
US-20180346438-A1 MODIFIED COMPOUND OF ANDROGRAPHOLIDE CYP11B2, CYP11B1, DUSP23 CHRM2 3835/4885CHRM4 4525/4885CHRM3 3883/4885

“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.