SCHEMBL23645985

SCHEMBL23645985

CCCCCCCCCOc1c[nH]c(C(=O)O)c1Cl

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2A P14555 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ PLA2G4B P0C869 1/20 0.43
▸ PTPN11 Q06124 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ THRA P10827 2/20 0.42
▸ THRB P10828 2/20 0.42
▸ GPR17 Q13304 2/20 0.42
▸ PTPN1 P18031 1/20 0.42
▸ S1PR3 Q99500 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ TDP1 Q9NUW8 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
SCHEMBL21061121 1.00 PLA2G2A (0.44) PLA2G2ATP53TSHRPLA2G4BPTPN11
SCHEMBL23645975 1.00 PLA2G2A (0.44) PLA2G2ATP53TSHRPLA2G4BPTPN11
SCHEMBL21061154 1.00 PLA2G2A (0.44) PLA2G2ATP53TSHRPLA2G4BPTPN11
SCHEMBL21060994 1.00 PLA2G2A (0.44) PLA2G2ATP53TSHRPLA2G4BPTPN11
SCHEMBL21061172 1.00 PLA2G2A (0.44) PLA2G2ATP53TSHRPLA2G4BPTPN11
SCHEMBL21061106 0.89 KDM4E (0.37) PLA2G2ATP53TSHRPTPN11ALDH1A1
SCHEMBL21060911 0.86 THRB (0.41) THRATHRBPTPN1MEN1KMT2A
SCHEMBL21060954 0.86 THRB (0.41) THRATHRBPTPN1MEN1KMT2A
SCHEMBL21061032 0.86 THRB (0.41) THRATHRBPTPN1MEN1KMT2A
SCHEMBL21060892 0.86 THRB (0.41) THRATHRBPTPN1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210220328-A1 PYRROLE DERIVATIVES AS ACC INHIBITORS ALMIRALL SA (ES) 2021-07-22 — — US claimed
CN-111886230-A Pyrrole derivatives as ACC inhibitors 阿尔米雷尔有限公司 2020-11-03 — — CN claimed
US-20210220328-A1 PYRROLE DERIVATIVES AS ACC INHIBITORS ALMIRALL SA (ES) 2021-07-22 — — US disclosed
CN-111886230-A Pyrrole derivatives as ACC inhibitors 阿尔米雷尔有限公司 2020-11-03 — — CN 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-20210220328-A1 PYRROLE DERIVATIVES AS ACC INHIBITORS ACACA, ACACB, PCCA PLA2G2A 4050/4885TP53 3446/4885TSHR 4181/4885

“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.

Send feedback