SCHEMBL2174194

SCHEMBL2174194

CCOC(=O)c1csc(C(Cc2ccccc2)NC(=O)COc2ccc(OC(F)(F)F)cc2)n1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPRB P23467 3/20 0.51
CCR3 P51677 1/20 0.49
PTPN1 P18031 11/20 0.46
MMP13 P45452 2/20 0.44
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HSP90AA1 P07900 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
NPC1 O15118 1/20 0.43
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42
PTPN2 P17706 1/20 0.42
CDC25B P30305 1/20 0.42

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
SCHEMBL2172774 0.90 PTPN1 (0.46) PTPRBPTPN1MEN1ALDH1A1LMNA
SCHEMBL2174676 0.85 MAPT (0.48) PTPRBRAB9ASMN1; SMN2HSP90AA1MAPT
SCHEMBL5669774 0.84 RAB9A (0.47) MMP13RAB9ASMN1; SMN2HSP90AA1MAPT
SCHEMBL2173445 0.80 TRPV1 (0.53) PTPRBPTPN1RAB9ASMN1; SMN2MAPT
SCHEMBL2174510 0.77 ALDH1A1 (0.48) SMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL5669919 0.74 MMP13 (0.43) MMP13MAPTMEN1ALDH1A1LMNA
SCHEMBL2171899 0.74 PTPRB (0.53) PTPRBCCR3MMP13RAB9ASMN1; SMN2
SCHEMBL5668327 0.73 RAB9A (0.53) MMP13RAB9ASMN1; SMN2HSP90AA1MAPT
SCHEMBL8172974 0.71 PTPRB (0.60) PTPRBCCR3PTPN1
SCHEMBL8172976 0.71 PTPRB (0.60) PTPRBCCR3PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7973061-B2 Anaplastic lymphoma kinase modulators and methods of use EXELIXIS, INC. (US) 2011-07-05 US disclosed
US-7973061-B2 Anaplastic lymphoma kinase modulators and methods of use EXELIXIS, INC. (US) 2011-07-05 US disclosed
US-7973061-B2 Anaplastic lymphoma kinase modulators and methods of use EXELIXIS, INC. (US) 2011-07-05 US disclosed
US-20090186905-A1 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2009-07-23 US disclosed
US-20090186905-A1 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2009-07-23 US disclosed
US-20090186905-A1 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2009-07-23 US disclosed
EP-1730128-A1 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2006-12-13 EP disclosed
WO-2005097765-A1 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2005-10-20 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 (1 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-20090186905-A1 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE ALK, BCL3, MCL1 PTPRB 1036/4885CCR3 310/4885PTPN1 1011/4885

“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.