SCHEMBL964309

SCHEMBL964309

Fc1cccc2c1CCO2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.42
ICAM1 P05362 1/20 0.42
ITGAL P20701 1/20 0.42
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 2/20 0.38
CRHBP P24387 2/20 0.38
CRHR2 Q13324 2/20 0.38
HTT P42858 1/20 0.38
EED O75530 1/20 0.38
SUZ12 Q15022 1/20 0.38
EZH2 Q15910 1/20 0.38
SLC9A1 P19634 2/20 0.37
AHR P35869 1/20 0.36
MTNR1B P49286 5/20 0.36
KIF11 P52732 1/20 0.36
SLC9A5 Q14940 1/20 0.35
SLC9A2 Q9UBY0 1/20 0.35
DRD2 P14416 1/20 0.35

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
SCHEMBL31634086 1.00 ITGB2 (0.42) ITGB2ICAM1ITGALMEN1KMT2A
SCHEMBL14616764 0.88 ACHE (0.45) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL23188898 0.79 DRD2 (0.36) SLC9A1MTNR1BSLC9A5SLC9A2DRD2
SCHEMBL20565628 0.76 ITGB2 (0.37) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL2830923 0.74 ITGB2 (0.42) ITGB2ICAM1ITGALMEN1KMT2A
SCHEMBL945134 0.74 ITGB2 (0.42) ITGB2ICAM1ITGALMEN1KMT2A
SCHEMBL8081108 0.74 MAP3K14 (0.47) ITGB2ICAM1ITGALMEN1KMT2A
SCHEMBL5543467 0.74 ITGB2 (0.42) ITGB2ICAM1ITGALMEN1KMT2A
SCHEMBL292330 0.74 ITGB2 (0.42) ITGB2ICAM1ITGALMEN1KMT2A
SCHEMBL88337 0.74 ITGB2 (0.42) ITGB2ICAM1ITGALMEN1KMT2A

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025049746-A1 COMPOSITIONS COMPRISING WERNER SYNDROME HELICASE INHIBITORS AND METHODS OF USING THE SAME EIKON THERAPEUTICS, INC. (US) 2025-03-06 WO disclosed
US-12162864-B2 Condensed-cyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-12-10 US disclosed
US-20240067668-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF VORONOI INC. (KR) 2024-02-29 US disclosed
US-20240067668-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF VORONOI INC. (KR) 2024-02-29 US disclosed
US-20240067668-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF VORONOI INC. (KR) 2024-02-29 US disclosed
EP-4273149-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF Voronoi Inc. (KR) 2023-11-08 EP disclosed
US-20230219986-A1 NOVEL AMINOPYRIMIDINE EGFR INHIBITOR QILU PHARMACEUTICAL CO., LTD. (CN) 2023-07-13 US disclosed
US-20230219986-A1 NOVEL AMINOPYRIMIDINE EGFR INHIBITOR QILU PHARMACEUTICAL CO., LTD. (CN) 2023-07-13 US disclosed
EP-4129996-A1 NOVEL AMINOPYRIMIDINE EGFR INHIBITOR QILU PHARMACEUTICAL CO., LTD. (CN) 2023-02-08 EP disclosed
WO-2022146027-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF 주식회사 비투에스바이오 2022-07-07 WO disclosed
EP-3858823-A1 CONDENSED-CYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2021-08-04 EP disclosed
WO-2020067457-A1 CONDENSED-CYCLIC COMPOUND 武田薬品工業株式会社 2020-04-02 WO disclosed
US-20180170943-A1 PIPERIDINE DERIVATIVE AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2018-06-21 US disclosed
US-20180170943-A1 PIPERIDINE DERIVATIVE AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2018-06-21 US disclosed
EP-3214076-A1 HETEROCYCLIC DERIVATIVE HAVING AMPK ACTIVATING EFFECT Shionogi & Co., Ltd. (JP) 2017-09-06 EP disclosed
WO-2014169845-A2 4,5-DIHYDRO-PYRAZOLO [3, 4-C] PYRID-2-ONES, PREPARATION METHOD AND APPLICATION THEREOF 四川海思科制药有限公司 (CN) 2014-10-23 WO disclosed
US-8435973-B2 17-beta HSD1 and STS inhibitors ABBOTT PRODUCTS GMBH (DE) 2013-05-07 US disclosed
US-8030298-B2 17β-HSD1 and STS inhibitors ABBOTT PRODUCTS GMBH (DE) 2011-10-04 US disclosed
US-20110021480-A1 17-beta HSD1 and STS Inhibitors SOLVAY PHARMACEUTICALS GMBH (DE) 2011-01-27 US disclosed
US-20060281710-A1 17SS-HSD1 and STS inhibitors SOLVAY PHARMACEUTICALS GMBH 2006-12-14 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 (6 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-20060281710-A1 17SS-HSD1 and STS inhibitors HSD17B11, HSD17B1, STS ITGB2 4204/4885ICAM1 2977/4885ITGAL 4134/4885
US-20240067668-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF ERBB2, EGFR, ERBB3 ITGB2 1533/4885ICAM1 3689/4885ITGAL 2736/4885
US-20230219986-A1 NOVEL AMINOPYRIMIDINE EGFR INHIBITOR EGFR, ERBB2, ERBB4 ITGB2 3531/4885ICAM1 4324/4885ITGAL 3436/4885
US-20110021480-A1 17-beta HSD1 and STS Inhibitors STS, HSD17B11, HSD17B1 ITGB2 3739/4885ICAM1 2463/4885ITGAL 3634/4885
US-12162864-B2 Condensed-cyclic compound SLC10A2, VIP, AVPR2 ITGB2 4578/4885ICAM1 2074/4885ITGAL 4711/4885
US-20180170943-A1 PIPERIDINE DERIVATIVE AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF GPER1, CYP19A1, PGR ITGB2 3138/4885ICAM1 3017/4885ITGAL 2848/4885

“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.