SCHEMBL3511278

SCHEMBL3511278

COc1ccc(SC)c(OC)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA7 P43166 1/20 0.58
CA9 Q16790 1/20 0.58
CA14 Q9ULX7 1/20 0.58
ALDH1A1 P00352 8/20 0.50
CYP1A1 P04798 7/20 0.50
CYP1A2 P05177 7/20 0.50
CYP1B1 Q16678 7/20 0.50
CYP3A4 P08684 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
LMNA P02545 2/20 0.46
CYP2E1 P05181 1/20 0.46
CYP2C8 P10632 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2A6 P11509 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP4B1 P13584 1/20 0.46

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
SCHEMBL11986360 0.83 CA12 (0.54) CA12CA1CA2CA7CA9
SCHEMBL11612722 0.83 CA12 (0.58) CA12CA1CA2CA7CA9
SCHEMBL25074911 0.81 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL3511274 0.81 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL11986364 0.80 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL9517356 0.79 CA12 (0.54) CA12CA1CA2CA7CA9
SCHEMBL920631 0.79 AR (0.42) CA12CA1CA2CA7CA9
SCHEMBL9914231 0.78 ACHE (0.58) ALDH1A1CYP3A4MEN1KMT2ALMNA
SCHEMBL6604093 0.78 CA12 (0.42) CA12CA1CA2CA7CA9
SCHEMBL3640883 0.78 ALDH1A1 (0.61) CA12CA1CA2CA7CA9

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
CN-116745286-A Novel galectin inhibitors of galectins 格莱克特生物技术公司 2023-09-12 CN disclosed
CN-109661394-A FGFR4 inhibitor, preparation method and application pharmaceutically 上海和誉生物医药科技有限公司 2019-04-19 CN disclosed
CN-109476672-A NOVEL HETEROCYCLIC DERIVATIVE COMPOUND AND USE THEREOF 韩美药品株式会社 2019-03-15 CN disclosed
CN-109384790-A Fibroblast growth factor acceptor inhibitor and application thereof 南京药捷安康生物科技有限公司 2019-02-26 CN disclosed
CN-107922410-A Methods for making FGFR inhibitors 普林斯匹亚生物制药公司 2018-04-17 CN disclosed
CN-106459034-B Carbostyril derivative as fibroblast growth factor acceptor inhibitor 普林斯匹亚生物制药公司 2018-01-12 CN disclosed
US-20170143731-A1 NOVEL HETEROCYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS ZENITH EPIGENETICS LTD. 2017-05-25 US disclosed
CN-106459034-A Quinolone derivatives as fibroblast growth factor receptor inhibitors 普林斯匹亚生物制药公司 2017-02-22 CN disclosed
US-8916071-B2 Chromene compound and curable composition TOKUYAMA CORPORATION (JP) 2014-12-23 US disclosed
US-20140225050-A1 CHROMENE COMPOUND AND CURABLE COMPOSITION TOKUYAMA CORPORATION (JP) 2014-08-14 US disclosed
US-20100286169-A1 Antibacterial Sulfone and Sulfoxide Substituted Heterocyclic Urea Compounds CRESTONE, INC. (US) 2010-11-11 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-20170143731-A1 NOVEL HETEROCYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS BRD4, BRDT, BRD3 CA12 4738/4885CA1 4702/4885CA2 4594/4885
US-20100286169-A1 Antibacterial Sulfone and Sulfoxide Substituted Heterocyclic Urea Compounds TST, UMPS, UROD CA12 4265/4885CA1 4273/4885CA2 4417/4885
US-20140225050-A1 CHROMENE COMPOUND AND CURABLE COMPOSITION CRY2, CRY1, CDYL CA12 2301/4885CA1 3137/4885CA2 1343/4885

“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.