SCHEMBL4100149

SCHEMBL4100149

Nc1cc(C(=O)Nc2ccc(I)cc2C(=O)O)ccc1Cl

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.57
CA7 P43166 2/20 0.57
PTPRC P08575 1/20 0.54
PTPN2 P17706 1/20 0.54
PTPN1 P18031 1/20 0.54
PTPRA P18433 1/20 0.54
PTPRB P23467 1/20 0.54
PTPRE P23469 1/20 0.54
PTPN6 P29350 1/20 0.54
SERPINE1 P05121 6/20 0.49
AKR1C4 P17516 1/20 0.49
AKR1C3 P42330 1/20 0.49
AKR1C2 P52895 1/20 0.49
AKR1C1 Q04828 1/20 0.49
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
CA9 Q16790 1/20 0.48
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
MAPT P10636 3/20 0.47

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
SCHEMBL4096497 0.80 ALDH1A1 (0.61) CA12CA7AKR1C2AKR1C1MEN1
SCHEMBL14075414 0.77 MEN1 (0.70) CA12CA7PTPRCPTPN2PTPN1
SCHEMBL6349505 0.76 PTPRC (0.60) CA12CA7PTPRCPTPN2PTPN1
SCHEMBL6349535 0.76 SERPINE1 (0.74) CA12CA7SERPINE1AKR1C4AKR1C3
SCHEMBL11212466 0.76 NPC1 (0.61) MEN1KMT2AMAPTRAB9AALDH1A1
SCHEMBL11787853 0.76 MEN1 (0.53) MEN1KMT2AMAPTRAB9ALMNA
SCHEMBL14075225 0.75 MEN1 (0.66) CA12CA7SERPINE1AKR1C4AKR1C3
SCHEMBL1308363 0.75 CYP1A2 (0.59) CA12CA7PTPRCPTPN2PTPN1
SCHEMBL10913770 0.75 MEN1 (0.59) CA12CA7SERPINE1AKR1C4AKR1C3
SCHEMBL11313281 0.75 NPC1 (0.60) MEN1KMT2AMAPTRAB9ALMNA

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-20090105218-A1 CRTH2 Receptor Ligands For Therapeutic Use 7TM PHARMA A/S (DK) 2009-04-23 US disclosed
US-20090105218-A1 CRTH2 Receptor Ligands For Therapeutic Use 7TM PHARMA A/S (DK) 2009-04-23 US disclosed
US-20090105218-A1 CRTH2 Receptor Ligands For Therapeutic Use 7TM PHARMA A/S (DK) 2009-04-23 US disclosed
EP-1758571-A1 CRTH2 RECEPTOR LIGANDS FOR THERAPEUTIC USE 7TM Pharma A/S (DK) 2007-03-07 EP disclosed
WO-2005115374-A1 CRTH2 RECEPTOR LIGANDS FOR THERAPEUTIC USE 7TM PHARMA A/S (DK) 2005-12-08 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-20090105218-A1 CRTH2 Receptor Ligands For Therapeutic Use NR1H2, NR1H3, HRH2 CA12 3546/4885CA7 3709/4885PTPRC 2374/4885

“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.