SCHEMBL3384040

SCHEMBL3384040

Cc1cccc(-c2ccc(-c3nc(C)c(C(=O)O)s3)cc2C#N)c1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
XDH P47989 13/20 0.60
ABCC4 O15439 1/20 0.57
ABCB11 O95342 1/20 0.57
PGR P06401 1/20 0.57
CHRM1 P11229 1/20 0.57
PDE4A P27815 1/20 0.57
BLVRB P30043 1/20 0.57
TARBP2 Q15633 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
ABCG2 Q9UNQ0 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.54
KDM4E B2RXH2 2/20 0.53
RAB9A P51151 2/20 0.53
GAA P10253 1/20 0.53
ALDH1A1 P00352 1/20 0.53
NPC1 O15118 1/20 0.48
POLB P06746 1/20 0.48

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
SCHEMBL1331587 0.91 XDH (0.64) XDHABCC4ABCB11PGRCHRM1
SCHEMBL3379629 0.89 KDM4E (0.65) XDHABCC4ABCB11PGRCHRM1
SCHEMBL1357815 0.89 XDH (0.68) XDHABCC4ABCB11PGRCHRM1
SCHEMBL19523288 0.87 SMN1; SMN2 (0.74) XDHABCC4ABCB11PGRCHRM1
SCHEMBL19523351 0.86 XDH (0.65) XDHABCC4ABCB11PGRCHRM1
SCHEMBL3385772 0.85 XDH (0.46) XDHABCC4ABCB11PGRCHRM1
SCHEMBL19523289 0.85 XDH (0.64) XDHABCC4ABCB11PGRCHRM1
SCHEMBL3434172 0.85 SMN1; SMN2 (0.74) XDHTARBP2SMN1; SMN2KDM4ERAB9A
SCHEMBL19523320 0.84 RAB9A (0.67) XDHABCC4ABCB11PGRCHRM1
SCHEMBL19523322 0.84 XDH (0.63) XDHABCC4ABCB11PGRCHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1932832-B1 TRIARYLCARBOXYLIC ACID DERIVATIVE ASTELLAS PHARMA INC (JP) 2010-12-01 EP claimed
US-7816558-B2 Triarylcarboxylic acid derivative ASTELLAS PHARMA INC. (JP) 2010-10-19 US claimed
US-20090018104-A1 Triarylcarboxylic Acid Derivative ASTELLAS PHARMA INC. (JP) 2009-01-15 US claimed
EP-1932832-A1 TRIARYLCARBOXYLIC ACID DERIVATIVE Astellas Pharma Inc. (JP) 2008-06-18 EP claimed
EP-1932832-B1 TRIARYLCARBOXYLIC ACID DERIVATIVE ASTELLAS PHARMA INC (JP) 2010-12-01 EP disclosed
US-7816558-B2 Triarylcarboxylic acid derivative ASTELLAS PHARMA INC. (JP) 2010-10-19 US disclosed
US-20090018104-A1 Triarylcarboxylic Acid Derivative ASTELLAS PHARMA INC. (JP) 2009-01-15 US disclosed
EP-1932832-A1 TRIARYLCARBOXYLIC ACID DERIVATIVE Astellas Pharma Inc. (JP) 2008-06-18 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-20090018104-A1 Triarylcarboxylic Acid Derivative XDH, NLRP3, UACA XDH 1/4885ABCC4 448/4885ABCB11 349/4885

“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.