SCHEMBL4772008

SCHEMBL4772008

COc1cc2[nH]c(C(=O)O)c(Sc3ccccc3C)c2cc1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 7/20 0.59
TUBB P07437 7/20 0.59
TUBA3C P0DPH7 7/20 0.59
TUBA1B P68363 7/20 0.59
TUBA4A P68366 7/20 0.59
TUBB4B P68371 7/20 0.59
TUBB3 Q13509 7/20 0.59
TUBB2A Q13885 7/20 0.59
TUBB8 Q3ZCM7 7/20 0.59
TUBA3E Q6PEY2 7/20 0.59
TUBA1A Q71U36 7/20 0.59
TUBA1C Q9BQE3 7/20 0.59
TUBB6 Q9BUF5 7/20 0.59
TUBB2B Q9BVA1 7/20 0.59
TUBB1 Q9H4B7 7/20 0.59
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
GAA P10253 2/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 2/20 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
SCHEMBL5889116 0.86 TUBB4A (0.77) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4762798 0.85 TUBB4A (0.74) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4766781 0.78 TUBB4A (0.61) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4771753 0.75 TUBB4A (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5889261 0.74 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4592847 0.73 GPR35 (0.65) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5829231 0.70 CTSV (0.62) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5813270 0.70 TUBB4A (0.80) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4344125 0.69 KDM4E (0.71) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6014751 0.68 MEN1 (0.59) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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
US-20080287469-A1 Phosphoinositide 3-Kinase Inhibitors for Inhibiting Leukocyte Accumulation DIACOVO THOMAS G 2008-11-20 US claimed
EP-1885356-A2 PHOSPHOINOSITIDE 3-KINASE INHIBITORS FOR INHIBITING LEUKOCYTE ACCUMULATION ICOS CORPORATION (US) 2008-02-13 EP claimed
WO-2006089106-A2 PHOSPHOINOSITIDE 3-KINASE INHIBITORS FOR INHIBITING LEUKOCYTE ACCUMULATION ICOS CORPORATION (US) 2006-08-24 WO claimed
US-7074814-B2 3-substituted indoles and derivatives thereof as therapeutic agents WARNER-LAMBERT COMPANY LLC (US) 2006-07-11 US claimed
EP-1644360-A1 3-SUBSTITUTED INDOLES AND DERIVATIVES THEREOF AS THERAPEUTIC AGENTS Warner-Lambert Company LLC (US) 2006-04-12 EP claimed
US-20050004195-A1 3-Substituted indoles and derivatives thereof as therapeutic agents PARA KIMBERLY SUZANNE (US) 2005-01-06 US claimed
WO-2004108708-A1 3-SUBSTITUTED INDOLES AND DERIVATIVES THEREOF AS THERAPEUTIC AGENTS WARNER-LAMBERT COMPANY LLC (US) 2004-12-16 WO claimed
US-20080287469-A1 Phosphoinositide 3-Kinase Inhibitors for Inhibiting Leukocyte Accumulation DIACOVO THOMAS G 2008-11-20 US disclosed
EP-1885356-A2 PHOSPHOINOSITIDE 3-KINASE INHIBITORS FOR INHIBITING LEUKOCYTE ACCUMULATION ICOS CORPORATION (US) 2008-02-13 EP disclosed
WO-2006089106-A2 PHOSPHOINOSITIDE 3-KINASE INHIBITORS FOR INHIBITING LEUKOCYTE ACCUMULATION ICOS CORPORATION (US) 2006-08-24 WO disclosed
US-7074814-B2 3-substituted indoles and derivatives thereof as therapeutic agents WARNER-LAMBERT COMPANY LLC (US) 2006-07-11 US disclosed
EP-1644360-A1 3-SUBSTITUTED INDOLES AND DERIVATIVES THEREOF AS THERAPEUTIC AGENTS Warner-Lambert Company LLC (US) 2006-04-12 EP disclosed
US-20050004195-A1 3-Substituted indoles and derivatives thereof as therapeutic agents PARA KIMBERLY SUZANNE (US) 2005-01-06 US disclosed
WO-2004108708-A1 3-SUBSTITUTED INDOLES AND DERIVATIVES THEREOF AS THERAPEUTIC AGENTS WARNER-LAMBERT COMPANY LLC (US) 2004-12-16 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-20050004195-A1 3-Substituted indoles and derivatives thereof as therapeutic agents IDO1, TPH1, IDO2 TUBB4A 3259/4885TUBB 3222/4885TUBA3C 2949/4885
US-20080287469-A1 Phosphoinositide 3-Kinase Inhibitors for Inhibiting Leukocyte Accumulation PI4KB, PIK3CA, PI4KA TUBB4A 1641/4885TUBB 1846/4885TUBA3C 3067/4885

“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.