SCHEMBL441457

SCHEMBL441457

CCS(=O)(=O)CCCCCC(C)C

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.40
LMNA P02545 1/20 0.40
CES1 P23141 5/20 0.37
FAAH O00519 5/20 0.34
TP53 P04637 1/20 0.34
FUT7 Q11130 1/20 0.34
CES2 O00748 2/20 0.33
KDM4C Q9H3R0 2/20 0.32
KDM4A O75164 1/20 0.32
PHF8 Q9UPP1 1/20 0.32
KDM2A Q9Y2K7 1/20 0.32

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
SCHEMBL19002208 0.98 LMNA (0.42) CA2LMNACES1FAAHTP53
SCHEMBL28302019 0.90 LMNA (0.43) CA2LMNACES1FAAHTP53
SCHEMBL28470985 0.90 LMNA (0.43) CA2LMNACES1FAAHTP53
SCHEMBL13784413 0.90 LMNA (0.38) CA2LMNACES1TP53
SCHEMBL28939095 0.87 LMNA (0.46) CA2LMNACES1TP53FUT7
SCHEMBL27741673 0.86 CA2 (0.47) CA2LMNACES1FAAHTP53
SCHEMBL8339213 0.82 CA2 (0.52) CA2LMNACES1FAAHCES2
SCHEMBL8844574 0.82 CA2 (0.52) CA2LMNACES1FAAHCES2
SCHEMBL8844939 0.82 CA2 (0.52) CA2LMNACES1FAAHCES2
SCHEMBL17369606 0.79 LMNA (0.41) CA2LMNATP53FUT7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9290503-B2 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2016-03-22 US disclosed
US-9273055-B2 Tyrosine kinase inhibitors CHEMBRIDGE CORPORATION (US) 2016-03-01 US disclosed
US-9249147-B2 Tyrosine kinase inhibitors CHEMBRIDGE CORPORATION (US) 2016-02-02 US disclosed
US-20150038536-A1 TYROSINE KINASE INHIBITORS CHEMBRIDGE COPRPORATION 2015-02-05 US disclosed
US-20150011539-A1 NOVEL TYROSINE KINASE INHIBITORS CHEMBRIDGE COPRPORATION 2015-01-08 US disclosed
US-8822500-B2 Tyrosine kinase inhibitors CHEMBRIDGE CORPORATION (US) 2014-09-02 US disclosed
US-8815906-B2 Tyrosine kinase inhibitors CHEMBRIDGE CORPORATION (US) 2014-08-26 US disclosed
US-20140228350-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS CHEMBRIDGE CORPORATION (US) 2014-08-14 US disclosed
US-20130053376-A1 NOVEL TYROSINE KINASE INHIBITORS CHEMBRIDGE COPRPORATION 2013-02-28 US disclosed
US-20120071473-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS CHEMBRIDGE CORPORATION 2012-03-22 US disclosed
US-20120065233-A1 TYROSINE KINASE INHIBITORS GREGOR VLAD EDWARD (US) 2012-03-15 US 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-20120071473-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS MALT1, TPMT, TSLP CA2 935/4885LMNA 3556/4885CES1 1959/4885
US-20150038536-A1 TYROSINE KINASE INHIBITORS ALK, ROS1, ABL1 CA2 3252/4885LMNA 3287/4885CES1 1507/4885
US-20140228350-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS MALT1, TPMT, TSLP CA2 935/4885LMNA 3556/4885CES1 1959/4885
US-20150011539-A1 NOVEL TYROSINE KINASE INHIBITORS ABL1, RET, TTBK1 CA2 727/4885LMNA 4496/4885CES1 2723/4885
US-20120065233-A1 TYROSINE KINASE INHIBITORS ALK, ROS1, ABL1 CA2 3252/4885LMNA 3287/4885CES1 1507/4885
US-20130053376-A1 NOVEL TYROSINE KINASE INHIBITORS ABL1, RET, TTBK1 CA2 727/4885LMNA 4496/4885CES1 2723/4885

“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.