SCHEMBL3231528

SCHEMBL3231528

Cc1cc(C(C)(C)C)[nH]c1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 9/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ RAF1 P04049 2/20 0.38
▸ NOTUM Q6P988 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ CYP3A4 P08684 1/20 0.34
▸ ACHE P22303 1/20 0.34
▸ GLRA3 O75311 1/20 0.34
▸ GLRB P48167 1/20 0.34
▸ GRN P28799 1/20 0.34
▸ SORT1 Q99523 1/20 0.34
▸ RXRB P28702 1/20 0.34
▸ GPR17 Q13304 1/20 0.33

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
SCHEMBL1044787 0.79 NOTUM (0.41) MEN1KMT2ANOTUMKDM4EGAA
SCHEMBL6622235 0.75 NOTUM (0.39) MEN1KMT2ANOTUMKDM4EGAA
SCHEMBL13315133 0.74 ALDH1A1 (0.43) MEN1KMT2AHPGD
SCHEMBL4472003 0.72 ALOX15 (0.48) KDM4EGAAHPGDHSD17B10
SCHEMBL16418933 0.72 NOTUM (0.70) MEN1KMT2ANOTUMKDM4EGAA
SCHEMBL14157647 0.71 GPR35 (0.41) MEN1KMT2ANOTUMKDM4EGAA
SCHEMBL7623372 0.69 KDM4E (0.34) NOTUMKDM4EGAAHPGDHSD17B10
SCHEMBL4470824 0.68 HCAR2 (0.41) MEN1KMT2ANOTUMKDM4EGAA
SCHEMBL4011812 0.67 DAO (0.32) KDM4EGAAHPGD
SCHEMBL23923900 0.67 GAA (0.39) MEN1KMT2ANOTUMKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120178780-A1 RAF KINASE INHIBITORS WOOD JILL E (US) 2012-07-12 — — US disclosed
US-7741479-B2 Urea inhibitors of MAP kinases LOCUS PHARMACEUTICALS, INC. (US) 2010-06-22 — — US disclosed
US-20100063088-A1 Raf Kinase Inhibitors WOOD JILL E 2010-03-11 — — US disclosed
EP-0986382-B1 RAF KINASE INHIBITORS BAYER PHARMACEUTICALS CORP (US) 2008-06-25 — — EP disclosed
US-20050256174-A1 Raf kinase inhibitors BAYER HEALTHCARE LLC 2005-11-17 — — US disclosed
US-20010006975-A1 Raf kinase inhibitors BAYER CORPORATION AND ONYX PHARMACEUTICALS WEST HAVEN, CT AND RICHMOND, CA, RESPECTIVELY 2001-07-05 — — US disclosed
EP-0986382-A4 RAF KINASE INHIBITORS BAYER AG (US) 2001-04-11 — — EP disclosed
US-6187799-B1 TREATING CANCEROUS CELL GROWTH MEDIATED BY RAF KINASE BY ADMINISTERING SPECIFIED COMPOUNDS, SUCH AS 2-(METHYOXYCARBONYL),3-((4-METHYLPHENYL)UREA),5-ALKYL-THIOPHENE ONYX PHARMACEUTICALS 2001-02-13 — — US disclosed
EP-0986382-A1 RAF KINASE INHIBITORS Bayer Corporation (US) 2000-03-22 — — EP disclosed
WO-1998052559-A1 RAF KINASE INHIBITORS BAYER CORPORATION (US) 1998-11-26 — — 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 (4 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-20100063088-A1 Raf Kinase Inhibitors BRAF, RAF1, ARAF MAPK14 239/4885MEN1 2219/4885KMT2A 1990/4885
US-20050256174-A1 Raf kinase inhibitors BRAF, RAF1, ARAF MAPK14 239/4885MEN1 2219/4885KMT2A 1990/4885
US-20120178780-A1 RAF KINASE INHIBITORS BRAF, RAF1, ARAF MAPK14 239/4885MEN1 2219/4885KMT2A 1990/4885
US-20010006975-A1 Raf kinase inhibitors BRAF, RAF1, ARAF MAPK14 239/4885MEN1 2219/4885KMT2A 1990/4885

“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.

Send feedback