SCHEMBL275887

SCHEMBL275887

O=Cc1cc(Br)ccc1OCc1ccc(F)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 6/20 0.62
PTPN1 P18031 3/20 0.61
PTGDR2 Q9Y5Y4 1/20 0.55
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
NSD2 O96028 1/20 0.52
POLB P06746 1/20 0.52
CYP1A2 P05177 3/20 0.51
CYP3A4 P08684 3/20 0.51
CYP2D6 P10635 3/20 0.51
CYP2C9 P11712 3/20 0.51
CYP2C19 P33261 3/20 0.51
MAPT P10636 2/20 0.51
LMNA P02545 2/20 0.51
NPC1 O15118 1/20 0.51
ALDH1A1 P00352 1/20 0.51
RECQL P46063 1/20 0.51
RAB9A P51151 1/20 0.51
GLA P06280 1/20 0.51

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
SCHEMBL30866193 1.00 CCR5 (0.62) CCR5PTPN1PTGDR2MEN1KMT2A
SCHEMBL29227151 0.91 CCR5 (0.52) CCR5PTPN1PTGDR2MEN1KMT2A
SCHEMBL29690603 0.88 PTGDR2 (0.55) CCR5PTPN1PTGDR2MEN1KMT2A
SCHEMBL28943814 0.88 PTGDR2 (0.55) CCR5PTPN1PTGDR2MEN1KMT2A
SCHEMBL5631333 0.88 MAOA (0.51) CCR5PTPN1KMT2AMAPTALDH1A1
SCHEMBL5699833 0.85 LMNA (0.69) CCR5PTPN1PTGDR2SMN1; SMN2CYP1A2
SCHEMBL5699666 0.85 CCR5 (0.63) CCR5PTGDR2MEN1KMT2APOLB
SCHEMBL5700125 0.85 PTGDR2 (0.55) CCR5PTPN1PTGDR2SMN1; SMN2CYP1A2
SCHEMBL29689869 0.85 CCR5 (0.63) CCR5PTGDR2MEN1KMT2APOLB
SCHEMBL82269 0.85 PTGDR2 (0.61) CCR5PTPN1PTGDR2SMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117843515-A Aromatic amino acid derivative as LAT1 inhibitor and preparation method and application thereof 中国药科大学 2024-04-09 CN disclosed
US-8134001-B2 Spiroindolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2012-03-13 US disclosed
US-8134001-B2 Spiroindolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2012-03-13 US disclosed
US-8134001-B2 Spiroindolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2012-03-13 US disclosed
EP-2229396-B1 SPIROINDOLINONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-08-10 EP disclosed
CN-101896486-A Spiroindolinone derivatives HOFFMANN LA ROCHE 2010-11-24 CN disclosed
EP-2229396-A1 SPIROINDOLINONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2010-09-22 EP disclosed
WO-2009077357-A1 SPIROINDOLINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 WO disclosed
WO-2009077357-A1 SPIROINDOLINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 WO disclosed
US-20090156610-A1 Spiroindolinone Derivatives DING QINGJIE 2009-06-18 US disclosed
US-20090156610-A1 Spiroindolinone Derivatives DING QINGJIE 2009-06-18 US disclosed
US-20090156610-A1 Spiroindolinone Derivatives DING QINGJIE 2009-06-18 US disclosed
EP-1509499-A1 PYRROLE COMPOUNDS FOR THE TREATMENT OF PROSTAGLANDIN MEDIATED DISEASES GLAXO GROUP LIMITED (GB) 2005-03-02 EP disclosed
WO-2003101959-A1 PYRROLE COMPOUNDS FOR THE TREATMENT OF PROSTAGLANDIN MEDIATED DISEASES GLAXO GROUP LIMITED (GB) 2003-12-11 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-20090156610-A1 Spiroindolinone Derivatives SDHA, AR, XPOT CCR5 2331/4885PTPN1 2799/4885PTGDR2 996/4885

“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.