SCHEMBL9575

SCHEMBL9575

CC(C)CC(=O)NCC1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.52
NPC1 O15118 2/20 0.50
RAB9A P51151 1/20 0.50
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
MMP1 P03956 1/20 0.49
MMP2 P08253 1/20 0.49
MMP3 P08254 1/20 0.49
MMP9 P14780 1/20 0.49
MMP8 P22894 1/20 0.49
CA9 Q16790 1/20 0.49
CYP2D6 P10635 1/20 0.47
EPHX2 P34913 1/20 0.47
HPGD P15428 1/20 0.44
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
BCHE P06276 3/20 0.43
LIPE Q05469 1/20 0.43

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
SCHEMBL11890389 0.98 EPHX1 (0.48) EPHX1NPC1RAB9ACA12CA1
SCHEMBL4515125 0.90 TDP1 (0.48) NPC1RAB9AHPGDSMN1; SMN2ALDH1A1
SCHEMBL19116737 0.84 TDP1 (0.42) NPC1RAB9AHPGDSMN1; SMN2ALDH1A1
SCHEMBL12764359 0.82 NPC1 (0.39) NPC1RAB9AHPGDSMN1; SMN2ALDH1A1
SCHEMBL12413705 0.82 ALOX15 (0.51) EPHX1EPHX2SMN1; SMN2
SCHEMBL7397008 0.82 EPHX1 (0.49) EPHX1NPC1RAB9ACA12CA1
SCHEMBL20804460 0.81 NPC1 (0.46) EPHX1NPC1RAB9ACA12CA1
SCHEMBL8599068 0.81 KMT2A (0.50) CYP2D6HPGDKDM4EPOLBSMN1; SMN2
Hydrochloric Acid SCHEMBL6147426 0.81 ALOX15 (0.50) EPHX1EPHX2SMN1; SMN2
SCHEMBL22519427 0.81 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10981911-B2 Imidazopyrrolopyridine as inhibitors of the JAK family of kinases JANSSEN PHARMACEUTICA NV (BE) 2021-04-20 US disclosed
US-20190322665-A1 IMIDAZOPYRROLOPYRIDINE AS INHIBITORS OF THE JAK FAMILY OF KINASES JANSSEN PHARMACEUTICA NV (BE) 2019-10-24 US disclosed
US-9296698-B2 Amino heteroaryl compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2016-03-29 US disclosed
US-20160046590-A1 SONIC HEDGEHOG MODULATORS MASSACHUSETTS INST TECHNOLOGY (US) 2016-02-18 US disclosed
US-20120329830-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use AMGEN INC. (US) 2012-12-27 US disclosed
EP-2504315-A1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2012-10-03 EP disclosed
WO-2011063233-A1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-05-26 WO disclosed
US-7786122-B2 α-(N-sulfonamido)acetamide derivatives as β-amyloid inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-31 US disclosed
US-7786122-B2 α-(N-sulfonamido)acetamide derivatives as β-amyloid inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-31 US disclosed
US-20080085894-A1 ALPHA-(N-SULFONAMIDO)ACETAMIDE DERIVATIVES AS BETA-AMYLOID INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-04-10 US disclosed
US-20080085894-A1 ALPHA-(N-SULFONAMIDO)ACETAMIDE DERIVATIVES AS BETA-AMYLOID INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-04-10 US disclosed
US-7300936-B2 α-(N-sulfonamido)acetamide derivatives as β-amyloid inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-27 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 (5 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-20080085894-A1 ALPHA-(N-SULFONAMIDO)ACETAMIDE DERIVATIVES AS BETA-AMYLOID INHIBITORS APP, APBA1, BACE1 EPHX1 2057/4885NPC1 1789/4885RAB9A 1585/4885
US-20120329830-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use BACE1, BACE2, APP EPHX1 310/4885NPC1 2088/4885RAB9A 1054/4885
US-10981911-B2 Imidazopyrrolopyridine as inhibitors of the JAK family of kinases JAK1, JAK2, JAK3 EPHX1 2531/4885NPC1 4389/4885RAB9A 2090/4885
US-20190322665-A1 IMIDAZOPYRROLOPYRIDINE AS INHIBITORS OF THE JAK FAMILY OF KINASES JAK1, JAK2, JAK3 EPHX1 2531/4885NPC1 4389/4885RAB9A 2090/4885
US-20160046590-A1 SONIC HEDGEHOG MODULATORS SHH, GLI1, SMO EPHX1 2529/4885NPC1 1280/4885RAB9A 1844/4885

“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.