SCHEMBL20447100

SCHEMBL20447100

COC(=O)C(CC(C)C)NCc1ccc(OC)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 2/20 0.59
TAS1R3 Q7RTX0 5/20 0.55
TAS1R1 Q7RTX1 5/20 0.55
ALDH1A1 P00352 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MMP1 P03956 3/20 0.46
MMP3 P08254 1/20 0.46
MMP9 P14780 1/20 0.46
ADAM17 P78536 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CTSK P43235 1/20 0.46
CASR P41180 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
SCHEMBL24446769 1.00 ANPEP (0.59) ANPEPTAS1R3TAS1R1ALDH1A1NPC1
SCHEMBL24446771 0.88 ANPEP (0.59) ANPEPTAS1R3TAS1R1ALDH1A1NPC1
SCHEMBL1871252 0.87 ANPEP (0.57) ANPEPTAS1R3TAS1R1ALDH1A1NPC1
SCHEMBL6158798 0.86 CTSK (0.47) ANPEPTAS1R3TAS1R1MMP9CTSK
SCHEMBL6158794 0.86 CTSK (0.47) ANPEPTAS1R3TAS1R1MMP9CTSK
SCHEMBL21301600 0.85 PPID (0.57) ANPEPTAS1R3TAS1R1CTSK
SCHEMBL3955674 0.85 NOS3 (0.55) ANPEPTAS1R3TAS1R1MEN1KMT2A
SCHEMBL3957241 0.85 NOS3 (0.55) ANPEPTAS1R3TAS1R1MEN1KMT2A
SCHEMBL3955671 0.85 NOS3 (0.55) ANPEPTAS1R3TAS1R1MEN1KMT2A
SCHEMBL6129757 0.85 ATM (0.54) ANPEPTAS1R3TAS1R1ALDH1A1MEN1

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
CN-112142655-A Biaryl kinase inhibitors 百时美施贵宝公司 2020-12-29 CN disclosed
CN-108368084-B Biaryl kinase inhibitors 百时美施贵宝公司 2020-10-16 CN disclosed
US-10544120-B2 Biaryl kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-01-28 US disclosed
US-10544120-B2 Biaryl kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-01-28 US disclosed
EP-3356340-B1 BIARYL KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-10-23 EP disclosed
EP-3356340-B1 BIARYL KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-10-23 EP disclosed
US-20180346440-A1 BIARYL KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-12-06 US disclosed
EP-3356340-A1 BIARYL KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2018-08-08 EP disclosed
CN-108368084-A Biaryl kinase inhibitors 百时美施贵宝公司 2018-08-03 CN 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 (2 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-20180346440-A1 BIARYL KINASE INHIBITORS AAK1, CAMKK1, CAMKK2 ANPEP 3895/4885TAS1R3 3894/4885TAS1R1 3980/4885
US-10544120-B2 Biaryl kinase inhibitors AAK1, CAMKK1, CAMKK2 ANPEP 3895/4885TAS1R3 3894/4885TAS1R1 3980/4885

“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.