SCHEMBL3344958

SCHEMBL3344958

CC(C)(C)OC(=O)NC1CCCC[C@H]1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.50
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
MMP2 P08253 2/20 0.49
MMP9 P14780 2/20 0.49
CA12 O43570 2/20 0.49
CA9 Q16790 2/20 0.49
MMP1 P03956 1/20 0.49
MMP3 P08254 1/20 0.49
MMP8 P22894 1/20 0.49
MMP13 P45452 1/20 0.49
GAA P10253 2/20 0.45
EPHX1 P07099 1/20 0.44
ANPEP P15144 1/20 0.41
ERAP2 Q6P179 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
HDAC4 P56524 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL30191451 1.00 BTK (0.50) BTKCA1CA2MMP2MMP9
SCHEMBL555256 1.00 BTK (0.50) BTKCA1CA2MMP2MMP9
SCHEMBL1693182 1.00 BTK (0.50) BTKCA1CA2MMP2MMP9
SCHEMBL3343104 1.00 BTK (0.50) BTKCA1CA2MMP2MMP9
SCHEMBL555255 1.00 BTK (0.50) BTKCA1CA2MMP2MMP9
SCHEMBL765453 1.00 BTK (0.50) BTKCA1CA2MMP2MMP9
SCHEMBL16125648 1.00 BTK (0.50) BTKCA1CA2MMP2MMP9
SCHEMBL1045289 1.00 BTK (0.50) BTKCA1CA2MMP2MMP9
SCHEMBL21032211 1.00 BTK (0.50) BTKCA1CA2MMP2MMP9
SCHEMBL23463705 0.98 BTK (0.49) BTKCA1CA2MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912720-B2 Rigid chiral photoluminescent isosceles triangular materials NORTHWESTERN UNIVERSITY (US) 2024-02-27 US disclosed
US-11912720-B2 Rigid chiral photoluminescent isosceles triangular materials NORTHWESTERN UNIVERSITY (US) 2024-02-27 US disclosed
US-20220332687-A1 HETEROARYL COMPOUNDS AND USES THEREOF SANOFI (FR) 2022-10-20 US disclosed
US-20210122767-A1 RIGID CHIRAL PHOTOLUMINESCENT ISOSCELES TRIANGULAR MATERIALS NORTHWESTERN UNIVERSITY (US) 2021-04-29 US disclosed
US-20180141951-A1 FUSED HETEROAROMATIC PYRROLIDINONES CALITHERA BIOSCIENCES, INC. 2018-05-24 US disclosed
US-20170327497-A1 SUBSTITUTED 6-AZA-ISOINDOLIN-1-ONE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-11-16 US disclosed
EP-3176154-A1 BENZAMIDES AND NICOTINAMIDES AS SYK MODULATORS Portola Pharmaceuticals, Inc. (US) 2017-06-07 EP disclosed
US-20150272956-A1 SUBSTITUTED XANTHINE DERIVATIVES SUN PHARMACEUTICAL INDUSTRIES, INC. 2015-10-01 US disclosed
EP-1577301-B1 Antithrombotic diaminocyclohexane derivatives DAIICHI SANKYO CO LTD (JP) 2012-09-12 EP disclosed
US-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-04-22 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 (7 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-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES F2, PLAT, MPL BTK 13/4885CA1 2523/4885CA2 4508/4885
US-20220332687-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 BTK 594/4885CA1 4107/4885CA2 3325/4885
US-20180141951-A1 FUSED HETEROAROMATIC PYRROLIDINONES SYK, ZAP70, LYN BTK 6/4885CA1 3703/4885CA2 4062/4885
US-20210122767-A1 RIGID CHIRAL PHOTOLUMINESCENT ISOSCELES TRIANGULAR MATERIALS PPIE, PARN, PIN1 BTK 4217/4885CA1 3961/4885CA2 4677/4885
US-11912720-B2 Rigid chiral photoluminescent isosceles triangular materials PPIE, PARN, PIN1 BTK 4217/4885CA1 3961/4885CA2 4677/4885
US-20150272956-A1 SUBSTITUTED XANTHINE DERIVATIVES XDH, HPRT1, CXCR3 BTK 2984/4885CA1 3414/4885CA2 2666/4885
US-20170327497-A1 SUBSTITUTED 6-AZA-ISOINDOLIN-1-ONE DERIVATIVES SYK, MYD88, BTK BTK 3/4885CA1 4563/4885CA2 4514/4885

“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.