SCHEMBL1551149

SCHEMBL1551149

CCC(NC(=O)OCc1ccccc1)C1(C2CCOCC2)CCC2(CC1)OCCO2

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.42
CTSL P07711 3/20 0.42
CTSS P25774 3/20 0.42
CYP1A2 P05177 3/20 0.41
SYK P43405 1/20 0.41
ATM Q13315 1/20 0.40
CYP3A4 P08684 6/20 0.39
TSHR P16473 6/20 0.39
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 3/20 0.39
LMNA P02545 3/20 0.39
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CASP1 P29466 1/20 0.39
CYP2C9 P11712 5/20 0.39
CYP2C19 P33261 4/20 0.39
POLB P06746 1/20 0.38
CYP2D6 P10635 1/20 0.38
CTSB P07858 1/20 0.38

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
SCHEMBL2243262 0.83 SYK (0.46) CTSKCTSLCTSSCYP1A2SYK
SCHEMBL1557203 0.76 ATM (0.47) CTSKCTSLCTSSSYKATM
SCHEMBL31206043 0.75 CYP1A2 (0.49) CTSKCTSLCTSSCYP1A2ATM
SCHEMBL18526739 0.74 CYP3A4 (0.46) CYP1A2ATMCYP3A4TSHRALDH1A1
SCHEMBL754281 0.74 CYP3A4 (0.46) CYP1A2ATMCYP3A4TSHRALDH1A1
SCHEMBL31464104 0.73 CYP2C9 (0.45) CTSKCTSLCTSSCYP1A2ATM
SCHEMBL31501247 0.73 CYP2C9 (0.45) CTSKCTSLCTSSCYP1A2ATM
SCHEMBL1551802 0.71 CYP3A4 (0.47) CTSKCYP1A2SYKCYP3A4TSHR
SCHEMBL5264129 0.71 ALDH1A1 (0.62) CTSKCTSLTSHRALDH1A1MEN1
SCHEMBL16158130 0.71 ALDH1A1 (0.49) CTSKCTSLTSHRALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2313374-B1 6-SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES SANOFI SA (FR) 2013-09-18 EP disclosed
EP-2313374-B1 6-SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES SANOFI SA (FR) 2013-09-18 EP disclosed
US-20130109715-A1 6-Substituted isoquinolines and isoquinolinones SANOFI (FR) 2013-05-02 US disclosed
US-20130109715-A1 6-Substituted isoquinolines and isoquinolinones SANOFI (FR) 2013-05-02 US disclosed
US-20130109715-A1 6-Substituted isoquinolines and isoquinolinones SANOFI (FR) 2013-05-02 US disclosed
US-8399482-B2 6-substituted isoquinolines and isoquinolinones SANOFI (FR) 2013-03-19 US disclosed
US-8399482-B2 6-substituted isoquinolines and isoquinolinones SANOFI (FR) 2013-03-19 US disclosed
US-8399482-B2 6-substituted isoquinolines and isoquinolinones SANOFI (FR) 2013-03-19 US disclosed
US-20110190339-A1 6-SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES SANOFI-AVENTIS (FR) 2011-08-04 US disclosed
US-20110190339-A1 6-SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES SANOFI-AVENTIS (FR) 2011-08-04 US disclosed
US-20110190339-A1 6-SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES SANOFI-AVENTIS (FR) 2011-08-04 US disclosed
EP-2313374-A1 6-SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES Sanofi-Aventis (FR) 2011-04-27 EP disclosed
WO-2009156099-A1 6-SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES SANOFI-AVENTIS (FR) 2009-12-30 WO disclosed
WO-2009156099-A1 6-SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES SANOFI-AVENTIS (FR) 2009-12-30 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 (2 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-20110190339-A1 6-SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES MYLK2, MYLK, MYLK3 CTSK 3943/4885CTSL 4590/4885CTSS 4491/4885
US-20130109715-A1 6-Substituted isoquinolines and isoquinolinones MYLK2, MYLK, MYLK3 CTSK 4069/4885CTSL 4380/4885CTSS 4443/4885

“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.