SCHEMBL3221799

SCHEMBL3221799

COC(=O)c1cccc(-c2cc(C(=O)NC3(C(=O)O)Cc4ccccc4C3)ccc2Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR132 Q9UNW8 1/20 0.44
CXCR5 P32302 6/20 0.43
LPAR1 Q92633 1/20 0.43
MAPK14 Q16539 1/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
NPC1 O15118 1/20 0.41
PLAU P00749 3/20 0.40
ROCK2 O75116 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
SCHEMBL3218321 0.88 CXCR5 (0.49) GPR132CXCR5LPAR1MEN1KMT2A
SCHEMBL13455706 0.87 CXCR5 (0.47) GPR132CXCR5LPAR1
SCHEMBL774222 0.85 CXCR5 (0.45) GPR132CXCR5LPAR1MAPK14MEN1
SCHEMBL3220332 0.84 ERAP1 (0.45) GPR132CXCR5LPAR1MEN1KMT2A
SCHEMBL3218256 0.82 CXCR5 (0.49) CXCR5MAPK14
SCHEMBL3207455 0.82 CXCR5 (0.46) GPR132CXCR5LPAR1
SCHEMBL3216718 0.80 LPAR1 (0.46) GPR132CXCR5LPAR1
SCHEMBL3214368 0.78 LPAR1 (0.46) GPR132CXCR5LPAR1MEN1KMT2A
SCHEMBL3224691 0.78 NPC1 (0.46) CXCR5MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL3216359 0.78 CXCR5 (0.48) GPR132CXCR5MAPK14MEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7683097-B2 Topoisomerase inhibitors Propharmacon Inc. (US) 2010-03-23 US disclosed
US-20070004701-A1 Topoisomerase inhibitors PROPHARMACON, INC. (US) 2007-01-04 US disclosed
WO-2006022955-A2 TOPOISOMERASE INHIBITORS PROPHARMACON, INC. (US) 2006-03-02 WO 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-20070004701-A1 Topoisomerase inhibitors TOP1, TOP2A, TOP2B GPR132 3576/4885CXCR5 3298/4885LPAR1 3669/4885

“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.