SCHEMBL5398985

SCHEMBL5398985

CCOC(=O)Cc1c(C)[nH]c(C(=O)OCC)c1C

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
CYP1A2 P05177 2/20 0.64
CYP2C9 P11712 2/20 0.64
CYP2C19 P33261 1/20 0.64
HPGD P15428 3/20 0.60
NPSR1 Q6W5P4 3/20 0.60
ALDH1A1 P00352 2/20 0.57
LMNA P02545 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
TSHR P16473 3/20 0.51
MAPT P10636 2/20 0.51
HTT P42858 1/20 0.51
RAB9A P51151 2/20 0.50
STAT1 P42224 1/20 0.50
MEN1 O00255 1/20 0.50
GAA P10253 1/20 0.50
ALOX12 P18054 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL11644037 0.84 CYP1A2 (0.76) MAPK1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL27514676 0.84 CYP1A2 (0.66) MAPK1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL891168 0.84 MAPK1 (0.83) MAPK1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL9423196 0.84 RAB9A (0.77) MAPK1SMN1; SMN2CYP2C9NPSR1ALDH1A1
SCHEMBL11647653 0.81 MAPK1 (0.70) MAPK1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL8740919 0.80 NPSR1 (0.68) MAPK1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL11811465 0.79 RAB9A (0.50) MAPK1SMN1; SMN2HPGDNPSR1ALDH1A1
SCHEMBL11648747 0.79 CYP1A2 (0.62) MAPK1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL18825165 0.79 NPSR1 (0.67) MAPK1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL2973335 0.78 MAPK1 (1.00) MAPK1SMN1; SMN2CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7157577-B2 5-sulfonamido-substituted indolinone compounds as protein kinase inhibitors SUGEN INC. (US) 2007-01-02 US disclosed
CN-1250526-C Pyrrole substituted 2-indolinone protein kinase inhibitors SUGEN INC (US) 2006-04-12 CN disclosed
US-20040266843-A1 Sulfonamide substituted indolinones as inhibitors of DNA dependent protein kinase (DNA-PK) SUGEN, INC. 2004-12-30 US disclosed
US-20040204407-A1 5-sulfonamido-substituted indolinone compounds as protein kinase inhibitors SUGEN INC. 2004-10-14 US disclosed
CN-1311775-A Pyrrole substituted 2-indolinone protein kinase inhibitors SUGEN INC (US) 2001-09-05 CN 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-20040204407-A1 5-sulfonamido-substituted indolinone compounds as protein kinase inhibitors DMPK, MAP3K20, PHKG1 MAPK1 430/4885SMN1; SMN2 2489/4885CYP1A2 2825/4885
US-20040266843-A1 Sulfonamide substituted indolinones as inhibitors of DNA dependent protein kinase (DNA-PK) CHEK2, CHEK1, ATM MAPK1 529/4885SMN1; SMN2 4218/4885CYP1A2 2467/4885

“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.