SCHEMBL21623786

SCHEMBL21623786

Cc1cccc(SC2CCN(C(=O)O)CC2)c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.58
POLB P06746 2/20 0.46
MGLL Q99685 2/20 0.43
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
NOTUM Q6P988 1/20 0.41
GPR119 Q8TDV5 1/20 0.41
FAAH O00519 1/20 0.40
HPGD P15428 1/20 0.39
HSD11B1 P28845 1/20 0.39
CARM1 Q86X55 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
EPHX2 P34913 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL3125608 0.83 CARM1 (0.49) KMT2AMGLLCARM1PRMT6NPC1
SCHEMBL21626597 0.83 GPR119 (0.62) KMT2AGPR119MAPT
SCHEMBL14231357 0.81 KMT2A (0.41) KMT2AMGLLDDB1CRBNCARM1
SCHEMBL1498324 0.80 MGLL (0.46) KMT2APOLBMGLLNOTUMHPGD
SCHEMBL15271053 0.79 DDB1 (0.51) KMT2APOLBDDB1CRBNCARM1
SCHEMBL1808012 0.79 DDB1 (0.49) KMT2ADDB1CRBNNOTUMFAAH
SCHEMBL6180649 0.78 RAB9A (0.46) KMT2ANPC1MAPTRAB9A
SCHEMBL1808394 0.77 MGLL (0.48) KMT2AMGLLNOTUMFAAHHSD11B1
SCHEMBL15271026 0.76 DDB1 (0.49) KMT2APOLBDDB1CRBNNPC1
SCHEMBL15271043 0.76 DDB1 (0.49) KMT2APOLBDDB1CRBNHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210284639-A1 TYROSINE AMIDE DERIVATIVES AS RHO- KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2021-09-16 US disclosed
EP-3823969-A1 TYROSINE AMIDE DERIVATIVES AS RHO- KINASE INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2021-05-26 EP disclosed
WO-2020016129-A1 TYROSINE AMIDE DERIVATIVES AS RHO- KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2020-01-23 WO 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 (1 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-20210284639-A1 TYROSINE AMIDE DERIVATIVES AS RHO- KINASE INHIBITORS ROCK1, ROCK2, CIT KMT2A 1349/4885POLB 2768/4885MGLL 4292/4885

“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.