SCHEMBL3021187

SCHEMBL3021187

CCOC(=O)c1c(C)coc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA7 P43166 2/20 0.48
CA9 Q16790 2/20 0.48
CA14 Q9ULX7 2/20 0.48
CYP3A4 P08684 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
NR1H2 P55055 1/20 0.47
NR1H3 Q13133 1/20 0.47
ALDH1A1 P00352 4/20 0.45
HPGD P15428 3/20 0.44
MAPT P10636 3/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.43
TSHR P16473 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PDE4D Q08499 1/20 0.42
USP2 O75604 2/20 0.41

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
SCHEMBL10846303 0.80 ALDH1A1 (0.48) CA12CA1CA2CA7CA9
SCHEMBL12697376 0.79 CA12 (0.51) CA12CA1CA2CA7CA9
SCHEMBL6964081 0.78 NPC1 (0.39) ALDH1A1USP2HSD17B10
SCHEMBL9223224 0.78 ALDH1A1 (0.44) CA12CA1CA2CA7CA9
SCHEMBL2719076 0.78 CA12 (0.42) CA12CA1CA2CA7CA9
SCHEMBL27569291 0.76 ALDH1A1 (0.57) CA12CA1CA2CA7CA9
SCHEMBL11008658 0.73 ALDH1A1 (0.62) CA12CA1CA2CA7CA9
SCHEMBL11159137 0.73 TSHR (0.52) CA12CA1CA2CA7CA9
SCHEMBL11625089 0.73 CA12 (0.49) CA12CA1CA2CA7CA9
SCHEMBL1975474 0.73 ALDH1A1 (0.63) CYP3A4SMN1; SMN2TDP1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1320531-B1 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PFIZER ITALIA SRL (IT) 2010-09-08 EP claimed
US-7541354-B2 Bicyclo-pyrazoles PFIZER ITALIA S.R.L. (IT) 2009-06-02 US claimed
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them NERVIANO MEDICAL SCIENCES S.R.L (IT) 2003-09-11 US claimed
US-20210094948-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-04-01 US disclosed
US-10647713-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2020-05-12 US disclosed
US-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-17 US disclosed
WO-2018075937-A1 TYK2 INHIBITORS AND USES THEREOF NIMBUS LAKSHMI, INC. (US) 2018-04-26 WO disclosed
EP-2195310-B1 LUMINESCENT LANTHANIDE (III) CHELATES, CHELATING AGENTS AND CONJUGATES DERIVED THEREOF WALLAC OY (FI) 2016-06-01 EP disclosed
EP-2195310-B1 LUMINESCENT LANTHANIDE (III) CHELATES, CHELATING AGENTS AND CONJUGATES DERIVED THEREOF WALLAC OY (FI) 2016-06-01 EP disclosed
US-8273765-B2 Bicyclo-pyrazoles and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2012-09-25 US disclosed
US-8221719-B2 Luminescent lanthanide (III) chelates, chelating agents and conjugates derived thereof WALLAC OY (FI) 2012-07-17 US disclosed
WO-2009030819-A1 LUMINESCENT LANTHANIDE (III) CHELATES, CHELATING AGENTS AND CONJUGATES DERIVED THEREOF WALLAC OY (FI) 2009-03-12 WO disclosed
WO-2009030819-A1 LUMINESCENT LANTHANIDE (III) CHELATES, CHELATING AGENTS AND CONJUGATES DERIVED THEREOF WALLAC OY (FI) 2009-03-12 WO disclosed
US-20070191386-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2007-08-16 US disclosed
US-6797712-B2 Substituted amino-furan-2-yl-acetic acid and amino-thien-2-yl-acetic acid derivatives and their use in the treatment of migraine and pain GRUENENTHAL GMBH (DE) 2004-09-28 US disclosed
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them NERVIANO MEDICAL SCIENCES S.R.L (IT) 2003-09-11 US disclosed
US-6166041-A 2-heteroaryl and 2-heterocyclic benzoxazoles as PDE IV inhibitors for the treatment of asthma EURO-CELTIQUE, S.A. (LU) 2000-12-26 US disclosed
EP-0008665-B1 FURYL-NONATETRAENE DERIVATIVES AND THE PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PROCESSES FOR THEIR PREPARATION, STARTING COMPOUNDS USED IN THESE PROCESSES, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1983-06-15 EP disclosed
US-4216312-A ANTITUMOR AGENTS, TREATMENT OF ACNE AND PSORIASIS HOFFMANN-LA ROCHE INC. (US) 1980-08-05 US disclosed
EP-0008665-A1 Furyl-nonatetraene derivatives and the pharmaceutically acceptable salts thereof, processes for their preparation, starting compounds used in these processes, and pharmaceutical compositions containing them F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1980-03-19 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 (5 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-20210094948-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 CA12 4833/4885CA1 4879/4885CA2 4600/4885
US-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 CA12 4833/4885CA1 4879/4885CA2 4600/4885
US-10647713-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 CA12 4833/4885CA1 4879/4885CA2 4600/4885
US-20070191386-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 CA12 4875/4885CA1 4824/4885CA2 4111/4885
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 CA12 4875/4885CA1 4824/4885CA2 4111/4885

“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.