SCHEMBL3528323

SCHEMBL3528323

CN1CCN(S(=O)(=O)c2cc(C(=O)O)c(Cl)cc2F)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 3/20 0.58
EPHX2 P34913 1/20 0.57
KMT2A Q03164 4/20 0.57
ALDH1A1 P00352 2/20 0.57
LMNA P02545 2/20 0.57
MEN1 O00255 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.52
POLB P06746 3/20 0.48
PKM P14618 1/20 0.47
MAPT P10636 2/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA3 P07451 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43

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
SCHEMBL19683494 0.87 KMT2A (0.74) ENPP2KMT2AALDH1A1LMNAMEN1
SCHEMBL12674484 0.87 MEN1 (0.74) EPHX2KMT2AALDH1A1LMNAMEN1
SCHEMBL13687081 0.87 ENPP2 (0.56) ENPP2EPHX2KMT2AALDH1A1LMNA
SCHEMBL4716013 0.86 MEN1 (0.76) ENPP2EPHX2KMT2AALDH1A1LMNA
SCHEMBL4761472 0.77 MEN1 (0.91) ENPP2EPHX2KMT2AALDH1A1LMNA
SCHEMBL30695411 0.77 SMN1; SMN2 (0.57) KMT2AALDH1A1LMNAMEN1PKM
SCHEMBL8574555 0.76 CA12 (0.53) EPHX2KMT2AALDH1A1LMNAMEN1
SCHEMBL11714408 0.75 POLB (0.57) ENPP2KMT2AALDH1A1LMNAMEN1
SCHEMBL396705 0.75 KMT2A (0.77) KMT2ALMNAMEN1L3MBTL1POLB
SCHEMBL11167834 0.75 MEN1 (0.76) ENPP2EPHX2KMT2AALDH1A1LMNA

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-7645771-B2 CCR5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORP. (US) 2010-01-12 US disclosed
US-20060229336-A1 Ccr5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORPORATION 2006-10-12 US disclosed
CN-1744899-A Piperidine derivatives as CCR5 antagonists SMITHKLINE BEECHAM CORP (US) 2006-03-08 CN disclosed
EP-1569646-A2 PIPERIDINE DERIVATIVES AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2005-09-07 EP disclosed
WO-2004054974-A2 PIPERIDINE DERIVATIVES AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2004-07-01 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-20060229336-A1 Ccr5 antagonists as therapeutic agents CCR5, CCR1, CXCR3 ENPP2 337/4885EPHX2 2752/4885KMT2A 4565/4885

“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.