SCHEMBL112240

SCHEMBL112240

COC(=O)Cc1ccc(CO[Si](C(C)C)(C(C)C)C(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.51
CYP4A11 Q02928 1/20 0.51
HSP90AB1 P08238 1/20 0.46
ALDH1A1 P00352 4/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
LMNA P02545 2/20 0.44
GAA P10253 2/20 0.43
GFER P55789 1/20 0.43
CYP19A1 P11511 1/20 0.42
PARP1 P09874 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
CYP26A1 O43174 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL23501241 0.84 CYP4F2 (0.57) CYP4F2CYP4A11HSP90AB1ALDH1A1NPC1
SCHEMBL112628 0.84 CYP4F2 (0.51) CYP4F2CYP4A11HSP90AB1ALDH1A1NPC1
SCHEMBL23501260 0.83 CA2 (0.50) ALDH1A1LMNAGAAPARP1TSHR
SCHEMBL23501267 0.82 CYP4A11 (0.54) CYP4F2CYP4A11HSP90AB1ALDH1A1NPC1
SCHEMBL13021535 0.81 PARP1 (0.37) CYP4F2CYP4A11ALDH1A1PARP1HTT
SCHEMBL4113212 0.78 CYP4F2 (0.76) CYP4F2CYP4A11HSP90AB1ALDH1A1NPC1
SCHEMBL9889127 0.77 TAAR1 (0.45) ALDH1A1LMNAPARP1TP53CYP3A4
SCHEMBL3272099 0.77 RXRA (0.53) ALDH1A1NPC1RAB9APARP1SMN1; SMN2
SCHEMBL16639667 0.76 TSHR (0.50) ALDH1A1LMNASMN1; SMN2MAPTL3MBTL1
SCHEMBL9435638 0.76 CYP4F2 (0.50) CYP4F2CYP4A11HSP90AB1ALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3845276-B1 BETA-AMINO ACID DERIVATIVE, KINASE INHIBITOR AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, AND USE OF THE SAME IND TECH RES INST (TW) 2025-01-29 EP disclosed
CN-113121443-B Beta-amino acid derivatives, kinase inhibitors and pharmaceutical compositions containing them and their use 财团法人工业技术研究院 2024-07-09 CN disclosed
CN-112979675-B Small molecular sulfur-containing heterocyclic compound 维眸生物科技(上海)有限公司 2023-12-19 CN disclosed
US-11618748-B2 Dual mechanism inhibitors for the treatment of disease AERIE PHARMACEUTICALS, INC. (US) 2023-04-04 US disclosed
US-11608319-B2 Beta-amino acid derivative, kinase inhibitor and pharmaceutical composition containing the same, and method for performing an in vivo related application that benefits from the inhibition of a kinase INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2023-03-21 US disclosed
US-20220363645-A1 BETA-AMINO ACID DERIVATIVE, KINASE INHIBITOR AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, AND METHOD FOR PERFORMING AN IN VIVO RELATED APPLICATION THAT BENEFITS FROM THE INHIBITION OF A KINASE INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2022-11-17 US disclosed
US-20210363141-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE ALCON INC. (CH) 2021-11-25 US disclosed
CN-111217834-B Nitroxide derivatives of ROCK kinase inhibitors 维眸生物科技(上海)有限公司 2021-10-26 CN disclosed
CN-113121443-A Beta-amino acid derivatives, kinase inhibitors and pharmaceutical compositions containing the same and use thereof 财团法人工业技术研究院 2021-07-16 CN disclosed
EP-3845276-A1 SS-AMINO ACID DERIVATIVE, KINASE INHIBITOR AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, AND USE OF THE SAME Industrial Technology Research Institute (TW) 2021-07-07 EP disclosed
US-8394826-B2 Dual mechanism inhibitors for the treatment of disease AERIE PHARMACEUTICALS, INC. (US) 2013-03-12 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
US-20100280011-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE ALCON INC. (CH) 2010-11-04 US 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
WO-2010126626-A2 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE AERIE PHARMACEUTICALS, 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 (6 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 CYP4F2 1873/4885CYP4A11 1083/4885HSP90AB1 856/4885
US-20210363141-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE RHOA, SLC6A2, ROCK2 CYP4F2 1873/4885CYP4A11 1083/4885HSP90AB1 856/4885
US-20120135984-A1 DUAL-ACTION INHBITORS AND METHODS OF USING SAME SLC6A2, ROCK2, SLC6A4 CYP4F2 2762/4885CYP4A11 1802/4885HSP90AB1 705/4885
US-11608319-B2 Beta-amino acid derivative, kinase inhibitor and pharmaceutical composition containing the same, and method for performing an in vivo related application that benefits from the inhibition of a kinase CSNK1A1, CSNK1D, CSNK1G3 CYP4F2 3024/4885CYP4A11 2718/4885HSP90AB1 1989/4885
US-20100280011-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE RHOA, SLC6A2, ROCK2 CYP4F2 1873/4885CYP4A11 1083/4885HSP90AB1 856/4885
US-20220363645-A1 BETA-AMINO ACID DERIVATIVE, KINASE INHIBITOR AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, AND METHOD FOR PERFORMING AN IN VIVO RELATED APPLICATION THAT BENEFITS FROM THE INHIBITION OF A KINASE CSNK1A1, CSNK1D, CSNK1G3 CYP4F2 3024/4885CYP4A11 2718/4885HSP90AB1 1989/4885

“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.