SCHEMBL2194673

SCHEMBL2194673

C#CC(C)(C)Oc1cccc(C(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.51
KMT2A Q03164 1/20 0.49
NR4A2 P43354 5/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
NR4A1 P22736 1/20 0.48
NR4A3 Q92570 1/20 0.48
POLB P06746 1/20 0.48
CYP2C9 P11712 1/20 0.48
KMO O15229 1/20 0.44
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
MITF O75030 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL826787 0.86 KMT2A (0.54) AKR1C3KMT2ANR4A2NPC1RAB9A
SCHEMBL2193058 0.85 SMN1; SMN2 (0.48) KMT2ANPC1RAB9APOLBMRGPRX4
SCHEMBL593324 0.82 AKR1C3 (0.59) AKR1C3KMT2ANR4A2NPC1RAB9A
SCHEMBL12327872 0.79 AKR1C3 (0.56) AKR1C3KMT2ANR4A2NPC1RAB9A
SCHEMBL27867052 0.79 AKR1C3 (0.56) AKR1C3KMT2ANR4A2NPC1RAB9A
SCHEMBL12987433 0.79 AKR1C3 (0.56) AKR1C3KMT2ANR4A2NPC1RAB9A
SCHEMBL5308495 0.76 ELANE (0.55)
SCHEMBL15457976 0.76 NPC1 (0.59) AKR1C3KMT2ANR4A2NPC1RAB9A
SCHEMBL8028120 0.76 NPC1 (0.35) KMT2ANPC1RAB9APOLBKDM4E
SCHEMBL18405594 0.75 CA4 (0.39) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2181987-B9 2-Carbonylaminobenzothiazoles and their use for the prophylaxis and treatment of cancer TAKEDA PHARMACEUTICAL (JP) 2014-09-03 EP disclosed
EP-2181987-B1 2-Carbonylaminobenzothiazoles and their use for the prophylaxis and treatment of cancer TAKEDA PHARMACEUTICAL (JP) 2014-03-05 EP disclosed
US-8324395-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-04 US disclosed
US-20110172245-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-07-14 US disclosed
EP-2181987-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-05-05 EP 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-20110172245-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BRAF, NRAS, RAF1 AKR1C3 2023/4885KMT2A 770/4885NR4A2 1184/4885

“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.