SCHEMBL174353

SCHEMBL174353

Cc1ccc(C(=O)OCc2ccc([C@@H](CNC(=O)OC(C)(C)C)C(=O)Nc3ccc4cnccc4c3)cc2)c(C)c1

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 18/20 0.75
ROCK1 Q13464 8/20 0.75
MYLK4 Q86YV6 1/20 0.51
TNF P01375 1/20 0.47

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
SCHEMBL112454 1.00 ROCK2 (0.75) ROCK2ROCK1MYLK4TNF
SCHEMBL173486 1.00 ROCK2 (0.75) ROCK2ROCK1MYLK4TNF
SCHEMBL18827679 0.93 ROCK2 (0.73) ROCK2ROCK1MYLK4TNF
SCHEMBL23066423 0.93 ROCK2 (0.65) ROCK2ROCK1MYLK4
SCHEMBL30934591 0.93 ROCK2 (0.65) ROCK2ROCK1MYLK4TNF
SCHEMBL23066372 0.93 ROCK2 (0.65) ROCK2ROCK1MYLK4TNF
SCHEMBL173780 0.92 ROCK2 (0.63) ROCK2ROCK1
SCHEMBL28581277 0.92 ROCK2 (0.65) ROCK2ROCK1MYLK4TNF
SCHEMBL21688439 0.90 ROCK2 (0.81) ROCK2ROCK1MYLK4
SCHEMBL24859274 0.89 ROCK2 (0.81) ROCK2ROCK1MYLK4

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 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260001848-A1 ROCK INHIBITORS AND USES THEREOF ALCON INC (CH) 2026-01-01 US disclosed
WO-2023136942-A1 SYNTHETIC INTERMEDIATES AND IMPROVED PROCESSES FOR PREPARING ROCK INHIBITORS AERIE PHARMACEUTICALS, INC. (US) 2023-07-20 WO disclosed
US-11618748-B2 Dual mechanism inhibitors for the treatment of disease AERIE PHARMACEUTICALS, INC. (US) 2023-04-04 US disclosed
US-20210363141-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE ALCON INC. (CH) 2021-11-25 US disclosed
EP-3376870-B1 PROCESS FOR THE PREPARATION OF KINASE INHIBITORS AND INTERMEDIATES THEREOF AERIE PHARMACEUTICALS INC (US) 2021-08-11 EP disclosed
EP-3376870-B1 PROCESS FOR THE PREPARATION OF KINASE INHIBITORS AND INTERMEDIATES THEREOF AERIE PHARMACEUTICALS INC (US) 2021-08-11 EP disclosed
US-11028081-B2 Dual mechanism inhibitors for the treatment of disease AERIE PHARMACEUTICALS, INC. (US) 2021-06-08 US disclosed
EP-3828172-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE Aerie Pharmaceuticals, Inc. (US) 2021-06-02 EP disclosed
CN-108601355-B Process for preparing kinase inhibitors and intermediates thereof 爱瑞制药公司 2021-03-30 CN disclosed
EP-3354643-B1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE AERIE PHARMACEUTICALS INC (US) 2020-10-28 EP disclosed
US-8716310-B2 Dual mechanism inhibitors for the treatment of disease AERIE PHARMACEUTICALS, INC. (US) 2014-05-06 US disclosed
US-20130158015-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE AERIE PHARMACEUTICALS, INC. (US) 2013-06-20 US disclosed
US-8394826-B2 Dual mechanism inhibitors for the treatment of disease AERIE PHARMACEUTICALS, INC. (US) 2013-03-12 US disclosed
US-20120135984-A1 DUAL-ACTION INHBITORS AND METHODS OF USING SAME AERIE PHARMACEUTICALS, INC. 2012-05-31 US disclosed
EP-2424842-A2 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE Aerie Pharmaceuticals, Inc. (US) 2012-03-07 EP disclosed
EP-2424857-A1 DUAL-ACTION INHIBITORS AND METHODS OF USING SAME Aerie Pharmaceuticals, Inc. (US) 2012-03-07 EP disclosed
US-20100280011-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE ALCON INC. (CH) 2010-11-04 US disclosed
WO-2010126626-A2 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE AERIE PHARMACEUTICALS, INC. (US) 2010-11-04 WO disclosed
WO-2010127329-A1 DUAL-ACTION INHIBITORS AND METHODS OF USING SAME AERIE PHARMACEUTICALS, INC. (US) 2010-11-04 WO disclosed
WO-2010127330-A1 DUAL-ACTION INHIBITORS AND METHODS OF USING SAME AERIE PHAMACEUTICALS, INC. (US) 2010-11-04 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 (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-11618748-B2 Dual mechanism inhibitors for the treatment of disease RHOA, SLC6A2, ROCK2 ROCK2 3/4885ROCK1 10/4885MYLK4 146/4885
US-20130158015-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE RHOA, SLC6A2, ROCK2 ROCK2 3/4885ROCK1 10/4885MYLK4 146/4885
US-11028081-B2 Dual mechanism inhibitors for the treatment of disease RHOA, SLC6A2, ROCK2 ROCK2 3/4885ROCK1 10/4885MYLK4 146/4885
US-20210363141-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE RHOA, SLC6A2, ROCK2 ROCK2 3/4885ROCK1 10/4885MYLK4 146/4885
US-20120135984-A1 DUAL-ACTION INHBITORS AND METHODS OF USING SAME SLC6A2, ROCK2, SLC6A4 ROCK2 2/4885ROCK1 6/4885MYLK4 196/4885
US-20100280011-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE RHOA, SLC6A2, ROCK2 ROCK2 3/4885ROCK1 10/4885MYLK4 146/4885
US-20260001848-A1 ROCK INHIBITORS AND USES THEREOF ROCK1, ROCK2, PRKG1 ROCK2 2/4885ROCK1 1/4885MYLK4 184/4885

“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.