SCHEMBL3496378

SCHEMBL3496378

Cc1cc(C)c2c(C(=O)N3CCC(N4CCCC5(C4)NC(=O)N(C(C)C)C5=O)CC3)c(N)sc2n1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACACB O00763 17/20 0.59
ACACA Q13085 16/20 0.59
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MAPT P10636 1/20 0.40
G6PD P11413 1/20 0.40
CACNA1B Q00975 1/20 0.40
APBA1 Q02410 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CHRM4 P08173 1/20 0.36

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
SCHEMBL3495791 0.88 ACACB (0.59) ACACBACACA
SCHEMBL13402348 0.88 ACACB (0.69) ACACBACACA
SCHEMBL3494463 0.87 ACACB (0.74) ACACBACACA
SCHEMBL3495396 0.81 ACACB (0.58) ACACBACACA
SCHEMBL3495992 0.78 ACACB (0.84) ACACBACACA
SCHEMBL3496137 0.77 ACACB (0.86) ACACBACACA
SCHEMBL3496004 0.77 ACACB (0.71) ACACBACACA
SCHEMBL3492633 0.75 ACACB (0.82) ACACBACACA
SCHEMBL3492757 0.74 ACACB (1.00) ACACBACACA
SCHEMBL3494738 0.74 ACACB (0.63) ACACBACACA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100093777-A1 SPIRO-RING COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-15 US disclosed
US-20100093777-A1 SPIRO-RING COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-15 US disclosed
EP-2128163-A1 SPIRO-RING COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-12-02 EP disclosed
EP-2128163-A1 SPIRO-RING COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-12-02 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-20100093777-A1 SPIRO-RING COMPOUND ACACA, PC, ACACB ACACB 3/4885ACACA 1/4885KDM4E 1490/4885

“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.