SCHEMBL114527

SCHEMBL114527

CC(C)[Si](OCC(C(=O)O)c1ccccc1)(C(C)C)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.45
PTGS1 P23219 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
APAF1 O14727 1/20 0.39
POLB P06746 1/20 0.39
CYP2D6 P10635 2/20 0.38
SRC P12931 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
CYP1A2 P05177 1/20 0.38
PKM P14618 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
EPHX1 P07099 1/20 0.38
MAPT P10636 1/20 0.38
LMNA P02545 3/20 0.37
HSD17B10 Q99714 1/20 0.37
PTGS2 P35354 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL110512 0.86 KMT2A (0.49) PTGS1SMN1; SMN2CYP2D6CYP1A2PKM
SCHEMBL16798382 0.78 CYP2C19 (0.42) CYP2C19SMN1; SMN2POLBCYP2D6SRC
SCHEMBL17835547 0.77 LMNA (0.48) LMNA
SCHEMBL25419566 0.77 LMNA (0.48) LMNA
SCHEMBL2016945 0.77 CYP2C19 (0.52) CYP2C19SMN1; SMN2POLBCYP2D6SRC
SCHEMBL25242914 0.75 CYP2C19 (0.41) CYP2C19SMN1; SMN2POLBCYP2D6LMNA
SCHEMBL25244807 0.75 CYP2C19 (0.41) CYP2C19SMN1; SMN2POLBCYP2D6LMNA
SCHEMBL21049648 0.74 CYP2C19 (0.49) CYP2C19SMN1; SMN2POLBCYP2D6SRC
SCHEMBL8460020 0.74 CYP2C19 (0.49) CYP2C19SMN1; SMN2CYP2D6SRCCYP1A2
SCHEMBL9880876 0.72 AKR1C3 (0.43) CYP2C19PTGS1LMNAHSD17B10PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
EP-3354643-B1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE AERIE PHARMACEUTICALS INC (US) 2020-10-28 EP disclosed
US-10654844-B2 Dual mechanism inhibitors for the treatment of disease AERIE PHARMACEUTICALS, INC. (US) 2020-05-19 US disclosed
US-20200131171-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE ALCON INC. (CH) 2020-04-30 US disclosed
US-10316029-B2 Dual mechanism inhibitors for the treatment of disease AERIE PHARMACEUTICALS, INC. (US) 2019-06-11 US disclosed
US-10174017-B2 Dual mechanism inhibitors for the treatment of disease AERIE PHARMACEUTICALS, INC. (US) 2019-01-08 US disclosed
US-20180244666-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE ALCON INC. (CH) 2018-08-30 US 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-2424857-A1 DUAL-ACTION INHIBITORS AND METHODS OF USING SAME Aerie Pharmaceuticals, Inc. (US) 2012-03-07 EP disclosed
EP-2424842-A2 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE 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-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
WO-2010127329-A1 DUAL-ACTION INHIBITORS AND METHODS OF USING SAME 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 (10 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 CYP2C19 2287/4885PTGS1 173/4885SMN1; SMN2 2657/4885
US-10654844-B2 Dual mechanism inhibitors for the treatment of disease RHOA, SLC6A2, ROCK2 CYP2C19 2287/4885PTGS1 173/4885SMN1; SMN2 2657/4885
US-20200131171-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE RHOA, SLC6A2, ROCK2 CYP2C19 2287/4885PTGS1 173/4885SMN1; SMN2 2657/4885
US-20180244666-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE RHOA, SLC6A2, ROCK2 CYP2C19 2287/4885PTGS1 173/4885SMN1; SMN2 2657/4885
US-10316029-B2 Dual mechanism inhibitors for the treatment of disease RHOA, SLC6A2, ROCK2 CYP2C19 2287/4885PTGS1 173/4885SMN1; SMN2 2657/4885
US-11028081-B2 Dual mechanism inhibitors for the treatment of disease RHOA, SLC6A2, ROCK2 CYP2C19 2287/4885PTGS1 173/4885SMN1; SMN2 2657/4885
US-20210363141-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE RHOA, SLC6A2, ROCK2 CYP2C19 2287/4885PTGS1 173/4885SMN1; SMN2 2657/4885
US-20120135984-A1 DUAL-ACTION INHBITORS AND METHODS OF USING SAME SLC6A2, ROCK2, SLC6A4 CYP2C19 1294/4885PTGS1 1230/4885SMN1; SMN2 2792/4885
US-10174017-B2 Dual mechanism inhibitors for the treatment of disease RHOA, SLC6A2, ROCK2 CYP2C19 2287/4885PTGS1 173/4885SMN1; SMN2 2657/4885
US-20100280011-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE RHOA, SLC6A2, ROCK2 CYP2C19 2287/4885PTGS1 173/4885SMN1; SMN2 2657/4885

“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.