SCHEMBL3211202

SCHEMBL3211202

O=C(NC1(C(=O)O)Cc2ccccc2C1)c1ccc(Cl)c(-c2ccccc2C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CXCR5 P32302 16/20 0.50
ERAP1 Q9NZ08 1/20 0.40
GPR132 Q9UNW8 1/20 0.40
LPAR1 Q92633 1/20 0.39
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL3216359 0.84 CXCR5 (0.48) CXCR5ERAP1GPR132MAPT
SCHEMBL13455706 0.83 CXCR5 (0.47) CXCR5ERAP1GPR132LPAR1
SCHEMBL3218256 0.82 CXCR5 (0.49) CXCR5ERAP1
SCHEMBL774797 0.81 CXCR5 (0.46) CXCR5ERAP1GPR132LPAR1
SCHEMBL774222 0.81 CXCR5 (0.45) CXCR5ERAP1GPR132LPAR1
SCHEMBL3214221 0.81 CXCR5 (0.45) CXCR5ERAP1GPR132LPAR1
SCHEMBL3207455 0.80 CXCR5 (0.46) CXCR5ERAP1GPR132LPAR1
SCHEMBL3220332 0.80 ERAP1 (0.45) CXCR5ERAP1GPR132LPAR1
SCHEMBL3214368 0.76 LPAR1 (0.46) CXCR5ERAP1GPR132LPAR1TP53
SCHEMBL3216718 0.76 LPAR1 (0.46) CXCR5ERAP1GPR132LPAR1

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 CXCR5 3298/4885ERAP1 1699/4885GPR132 3576/4885

“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.