SCHEMBL21060991

SCHEMBL21060991

CCCCCCCCCCCCCOc1c[nH]c(C(=O)OC)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 5/20 0.41
▸ THRA P10827 3/20 0.41
▸ SMPD1 P17405 5/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ NR1I2 O75469 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CHRM2 P08172 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ ADRA2A P08913 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ HTR2B P41595 1/20 0.40
▸ SLC6A3 Q01959 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ PTPN1 P18031 1/20 0.38
▸ PPARG P37231 1/20 0.38
▸ ESR1 P03372 1/20 0.38
▸ AKR1C4 P17516 1/20 0.38
▸ AKR1C3 P42330 1/20 0.38

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
SCHEMBL21061032 1.00 THRB (0.41) THRBTHRASMPD1MEN1NR1I2
SCHEMBL21061108 1.00 THRB (0.41) THRBTHRASMPD1MEN1NR1I2
SCHEMBL21060911 1.00 THRB (0.41) THRBTHRASMPD1MEN1NR1I2
SCHEMBL21060954 1.00 THRB (0.41) THRBTHRASMPD1MEN1NR1I2
SCHEMBL21060892 1.00 THRB (0.41) THRBTHRASMPD1MEN1NR1I2
SCHEMBL21061074 0.89 CYP4A11 (0.36) SMPD1LMNACYP3A4MAPT
SCHEMBL21061121 0.86 PLA2G2A (0.44) THRBTHRAMEN1KMT2APTPN1
SCHEMBL21060994 0.86 PLA2G2A (0.44) THRBTHRAMEN1KMT2APTPN1
SCHEMBL21061172 0.86 PLA2G2A (0.44) THRBTHRAMEN1KMT2APTPN1
SCHEMBL21061154 0.86 PLA2G2A (0.44) THRBTHRAMEN1KMT2APTPN1

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 disclosed
CN-111886230-A Pyrrole derivatives as ACC inhibitors 阿尔米雷尔有限公司 2020-11-03 — — CN disclosed
EP-3724182-A1 PYRROLE DERIVATIVES AS ACC INHIBITORS Almirall S.A. (ES) 2020-10-21 — — EP disclosed
WO-2019115405-A1 PYRROLE DERIVATIVES AS ACC INHIBITORS ALMIRALL, S.A. (ES) 2019-06-20 — — 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-20210220328-A1 PYRROLE DERIVATIVES AS ACC INHIBITORS ACACA, ACACB, PCCA THRB 1943/4885THRA 2761/4885SMPD1 3209/4885

“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.

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