SCHEMBL3487445

SCHEMBL3487445

CC(C)(CCC#N)c1ccc(C(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.47
RARG P13631 1/20 0.47
SRD5A2 P31213 2/20 0.47
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
KMT2A Q03164 1/20 0.42
NR1H4 Q96RI1 3/20 0.42
EPHX2 P34913 2/20 0.42
RXRA P19793 2/20 0.41
RXRB P28702 2/20 0.41
NR4A2 P43354 1/20 0.41
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
CYP2C9 P11712 1/20 0.40
RAB9A P51151 1/20 0.40
TP53 P04637 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL5177528 0.79 SRD5A2 (0.53) RARBRARGSRD5A2MEN1CYP1A2
SCHEMBL2436942 0.78 TAAR1 (0.48) MEN1KMT2ARAB9ACYP3A4MAPT
SCHEMBL6573330 0.77 SRD5A2 (0.52) RARBRARGSRD5A2MEN1CYP1A2
SCHEMBL3486273 0.77 TSHR (0.43) MEN1KMT2ANPC1RAB9ATDP1
SCHEMBL448815 0.75 RARB (0.50) RARBSRD5A2MEN1CYP1A2KMT2A
SCHEMBL9653084 0.74 SRD5A2 (0.57) RARBRARGSRD5A2MEN1CYP1A2
SCHEMBL444583 0.74 MEN1 (0.59) RARBRARGSRD5A2MEN1CYP1A2
SCHEMBL5486023 0.73 TP53 (0.53) RARBSRD5A2MEN1KMT2ATP53
SCHEMBL104864 0.73 SRD5A2 (0.55) RARBRARGSRD5A2MEN1CYP1A2
SCHEMBL2804705 0.73 SRD5A2 (0.55) RARBRARGSRD5A2MEN1CYP1A2

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
US-20100029619-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMTED (JP) 2010-02-04 US disclosed
US-20100029619-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMTED (JP) 2010-02-04 US disclosed
US-20100029619-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMTED (JP) 2010-02-04 US disclosed
EP-2058309-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-05-13 EP disclosed
EP-2058309-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-05-13 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-20100029619-A1 FUSED HETEROCYCLIC COMPOUND IRAK1, IL1R1, IRAK2 RARB 3403/4885RARG 4030/4885SRD5A2 1941/4885

“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.