SCHEMBL1458091

SCHEMBL1458091

COc1c(OC(C)C)cc(C(=O)O)cc1OC(C)C

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 5/20 0.56
CA12 O43570 2/20 0.53
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
CA4 P22748 2/20 0.53
CA6 P23280 2/20 0.53
CA7 P43166 2/20 0.53
CA9 Q16790 2/20 0.53
CA14 Q9ULX7 2/20 0.53
CA3 P07451 1/20 0.53
PKM P14618 1/20 0.53
CA5A P35218 1/20 0.53
CA5B Q9Y2D0 1/20 0.53
PTGS2 P35354 1/20 0.50
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.47
TUBB4A P04350 5/20 0.46
TUBB P07437 5/20 0.46
TUBA3C P0DPH7 5/20 0.46
TUBA1B P68363 5/20 0.46

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
SCHEMBL1458531 0.89 KMT2A (0.50) TPMTCA12CA1CA2CA4
SCHEMBL1458211 0.89 TPMT (0.59) TPMTCA12CA1CA2CA4
SCHEMBL986919 0.85 TPMT (0.61) TPMTCA12CA1CA2CA4
SCHEMBL5232828 0.84 CYP3A4 (0.47) CA12CA1CA2CA7CA9
SCHEMBL8080285 0.83 MAPK1 (0.54) TPMTCA12CA1CA2CA4
SCHEMBL1458634 0.82 MEN1 (0.60) PKMMAPK1KMT2ANPC1GAA
SCHEMBL9944157 0.82 KMT2A (0.44) TPMTCA12CA1CA2CA4
3,4,5-Trimethoxybenzoic Acid SCHEMBL6592 0.82 TPMT (0.78) TPMTCA12CA1CA2CA4
SCHEMBL1459275 0.81 TPMT (0.50) TPMTCA12CA1CA2CA4
SCHEMBL1458060 0.81 TSHR (0.51) TPMTKMT2AHTTGAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9447028-B2 Therapeutic aryl-amido-aryl compounds and their use KING'S COLLEGE LONDON (GB) 2016-09-20 US disclosed
US-20160039747-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use KING'S COLLEGE LONDON (GB) 2016-02-11 US disclosed
EP-2473479-A1 THERAPEUTIC ARYL-AM I DO-ARYL COMPOUNDS AND THEIR USE King's College London (GB) 2012-07-11 EP disclosed
US-20120149737-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use KING'S COLLEGE LONDON (GB) 2012-06-14 US disclosed
WO-2011027106-A1 THERAPEUTIC ARYL-AM I DO-ARYL COMPOUNDS AND THEIR USE KING'S COLLEGE LONDON (GB) 2011-03-10 WO disclosed
EP-1403250-B1 BIS(5-ARYL-2-PYRIDYL) DERIVATIVE KOWA CO (JP) 2007-07-18 EP disclosed
US-7196101-B2 Bis(5-aryl-2-pyridyl) compound having excellent immunoglobulin (IgE) antibody production inhibiting activity, useful for the prevention or treatment of allergic immune diseases KOWA CO., LTD (JP) 2007-03-27 US disclosed
US-20050101634-A1 Bis(5-aeyl-2-pyridyl) derivatives KOWA CO., LTD. (JP) 2005-05-12 US disclosed
EP-1403250-A1 BIS(5-ARYL-2-PYRIDYL) DERIVATIVE Kowa Co., Ltd. (JP) 2004-03-31 EP disclosed
US-6706703-B2 BIS(5-ARYL-2-PYRIDYL) COMPOUND HAVING EXCELLENT IMMUNOGLOBULIN (IGE) ANTIBODY PRODUCTION INHIBITING ACTIVITY, USEFUL FOR THE PREVENTION OR TREATMENT OF ALLERGIC IMMUNE DISEASES KOWA CO., LTD. (JP) 2004-03-16 US disclosed
US-20030027814-A1 Bis(5-aryl-2-pyridyl) derivatives KOWA CO., LTD. (JP) 2003-02-06 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 (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-20050101634-A1 Bis(5-aeyl-2-pyridyl) derivatives H1-0, BRD4, PAH TPMT 1990/4885CA12 2933/4885CA1 2904/4885
US-20120149737-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use RARA, RARB, RARG TPMT 2218/4885CA12 4325/4885CA1 1797/4885
US-20030027814-A1 Bis(5-aryl-2-pyridyl) derivatives AHR, PAH, H1-0 TPMT 1907/4885CA12 4529/4885CA1 4598/4885
US-20160039747-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use RARA, RARB, RARG TPMT 2218/4885CA12 4325/4885CA1 1797/4885

“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.