SCHEMBL20447205

SCHEMBL20447205

COC(=O)C(CC(C)C)N(Cc1ccc(OC)cc1)C(=O)CCl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
HTT P42858 2/20 0.54
YAP1 P46937 3/20 0.51
TEAD4 Q15561 3/20 0.51
CTSL P07711 1/20 0.47
RNF4 P78317 1/20 0.44
ATM Q13315 1/20 0.42
KDM4E B2RXH2 1/20 0.41
KMT2A Q03164 2/20 0.40
GLA P06280 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
ANPEP P15144 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39

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
SCHEMBL13396259 0.88 SMN1; SMN2 (0.57) ALDH1A1SMN1; SMN2HTTYAP1TEAD4
SCHEMBL25252107 0.88 SMN1; SMN2 (0.57) ALDH1A1SMN1; SMN2HTTYAP1TEAD4
SCHEMBL8922383 0.86 ATM (0.43) ALDH1A1SMN1; SMN2HTTYAP1TEAD4
SCHEMBL29497016 0.79 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2HTTYAP1TEAD4
SCHEMBL3315879 0.74 KMT2A (0.49) ALDH1A1SMN1; SMN2HTTYAP1TEAD4
SCHEMBL26618380 0.73 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2HTTKMT2ATDP1
SCHEMBL26618376 0.73 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2HTTKMT2ATDP1
SCHEMBL31581706 0.72 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2HTTYAP1TEAD4
SCHEMBL31564673 0.72 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2HTTYAP1TEAD4
SCHEMBL4573275 0.72 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2HTTYAP1TEAD4

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 6 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
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

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 ALDH1A1 2360/4885SMN1; SMN2 1356/4885HTT 1044/4885
US-10544120-B2 Biaryl kinase inhibitors AAK1, CAMKK1, CAMKK2 ALDH1A1 2360/4885SMN1; SMN2 1356/4885HTT 1044/4885

“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.