SCHEMBL5403457

SCHEMBL5403457

CCOC(=O)c1[nH]c(C)c(-c2cccc(C(=O)O)c2)c1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.52
NPC1 O15118 3/20 0.52
CASP3 P42574 1/20 0.52
SENP8 Q96LD8 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 1/20 0.52
ALDH1A1 P00352 4/20 0.51
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP2C9 P11712 1/20 0.49
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
HPGD P15428 3/20 0.48
MAPT P10636 3/20 0.46
KDM4E B2RXH2 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HTT P42858 2/20 0.45
XBP1 P17861 1/20 0.45
HRH3 Q9Y5N1 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL5396489 0.84 KMT2A (0.58) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL6830549 0.84 SMN1; SMN2 (0.58) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL15151521 0.79 RAB9A (0.63) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL6828407 0.79 RAB9A (0.40) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL6828515 0.79 MAPT (0.52) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL6825638 0.78 MAPT (0.47) RAB9ANPC1ALDH1A1KMT2AMEN1
SCHEMBL6828406 0.77 SMN1; SMN2 (0.52) RAB9ANPC1ALDH1A1KMT2AMEN1
SCHEMBL5731634 0.75 RAB9A (0.61) RAB9ANPC1ALDH1A1CYP1A2CYP2C19
SCHEMBL11223090 0.75 TP53 (0.59) RAB9ANPC1ALDH1A1KMT2AHPGD
SCHEMBL6828198 0.75 MAPT (0.60) RAB9ANPC1ALDH1A1CYP1A2KMT2A

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 4 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
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
US-20040138269-A1 Substituted pyrroles as kinase inhibitors SUGEN, INC. 2004-07-15 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 (3 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 RAB9A 1116/4885NPC1 2234/4885CASP3 4121/4885
US-20040138269-A1 Substituted pyrroles as kinase inhibitors PHKG1, PHKG2, MAP3K20 RAB9A 1487/4885NPC1 2915/4885CASP3 3871/4885
US-20040266843-A1 Sulfonamide substituted indolinones as inhibitors of DNA dependent protein kinase (DNA-PK) CHEK2, CHEK1, ATM RAB9A 3727/4885NPC1 4506/4885CASP3 3078/4885

“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.