SCHEMBL16826537

SCHEMBL16826537

Cc1cc(F)c2[nH]c3ccc(C(=O)O)cc3c2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.60
KDM4E B2RXH2 3/20 0.54
ALDH1A1 P00352 1/20 0.54
THRB P10828 1/20 0.54
HPGD P15428 1/20 0.54
KIF11 P52732 2/20 0.47
TDP1 Q9NUW8 3/20 0.43
PSMD14 O00487 1/20 0.43
RECQL P46063 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
APEX1 P27695 1/20 0.43
FGFR1 P11362 1/20 0.43
FLT1 P17948 1/20 0.43
KDR P35968 1/20 0.43
DYRK1A Q13627 1/20 0.43
TBXAS1 P24557 1/20 0.42
MAPK1 P28482 1/20 0.41
MAP2K4 P45985 1/20 0.41
MAPKAPK3 Q16644 1/20 0.41
MAPK6 Q16659 1/20 0.41

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
SCHEMBL28255498 0.89 JAK2 (0.57) JAK2KDM4EALDH1A1THRBHPGD
SCHEMBL16826539 0.83 KDM4E (0.61) JAK2KDM4EALDH1A1HPGDKDR
SCHEMBL16826531 0.81 KIF11 (0.50) JAK2KDM4EALDH1A1THRBHPGD
SCHEMBL28082031 0.80 KDM4E (0.65) JAK2KDM4EALDH1A1THRBHPGD
SCHEMBL16826538 0.80 JAK2 (0.41) JAK2KDM4EALDH1A1HPGDTDP1
SCHEMBL30844878 0.76 KDM4E (0.67) KDM4EALDH1A1THRBHPGDKIF11
SCHEMBL69604 0.76 KDM4E (0.67) KDM4EALDH1A1THRBHPGDKIF11
SCHEMBL143977 0.76 JAK2 (1.00) JAK2KDM4EALDH1A1THRBHPGD
SCHEMBL7926746 0.74 KDM4E (0.71) JAK2KDM4EALDH1A1THRBHPGD
Hydrochloric Acid SCHEMBL9746959 0.74 KDM4E (0.65) KDM4EALDH1A1THRBHPGDKIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10730856-B2 Benzimidazole derivatives as EP4 ligands BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-08-04 US disclosed
EP-3083603-B1 BENZIMIDAZOLYL DERIVATIVES AS EP4 LIGANDS Bayer Pharma AG (DE) 2017-09-13 EP disclosed
US-20160318905-A1 Novel benzimidazole derivatives as EP4 ligands BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-11-03 US disclosed
EP-3083603-A1 BENZIMIDAZOLE DERIVATIVES AS EP4-LIGANDS Bayer Pharma Aktiengesellschaft (DE) 2016-10-26 EP disclosed
CN-105814038-A Benzimidazole derivatives as EP4 ligands 拜耳医药股份公司 2016-07-27 CN disclosed
WO-2015091475-A1 BENZIMIDAZOLE DERIVATIVES AS EP4-LIGANDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-06-25 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 (2 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-20160318905-A1 Novel benzimidazole derivatives as EP4 ligands PTGER4, PTGER1, EPB41 JAK2 572/4885KDM4E 1542/4885ALDH1A1 511/4885
US-10730856-B2 Benzimidazole derivatives as EP4 ligands PTGER4, PTGER1, PTGER2 JAK2 408/4885KDM4E 1547/4885ALDH1A1 382/4885

“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.