SCHEMBL20503271

SCHEMBL20503271

CCCCCCCSc1ccc(C(=O)O)c(C)c1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 4/20 0.61
RARB P10826 1/20 0.53
THRB P10828 10/20 0.52
THRA P10827 1/20 0.49
KDM6B O15054 2/20 0.45
KDM4A O75164 2/20 0.45
KDM4D Q6B0I6 2/20 0.45
KDM3B Q7LBC6 2/20 0.45
HIF1AN Q9NWT6 2/20 0.45
KDM5B Q9UGL1 2/20 0.45
KDM2A Q9Y2K7 2/20 0.45
PTPN11 Q06124 1/20 0.45
PPARA Q07869 1/20 0.44

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
SCHEMBL9107279 1.00 PLK1 (0.61) PLK1RARBTHRBTHRAKDM6B
SCHEMBL11679369 0.81 THRB (0.57) PLK1THRBTHRAKDM6BKDM4A
SCHEMBL12080799 0.80 THRA (0.62) PLK1RARBTHRBTHRA
SCHEMBL22438945 0.80 THRA (0.62) PLK1RARBTHRBTHRA
SCHEMBL6487501 0.80 THRA (0.62) PLK1RARBTHRBTHRA
SCHEMBL7829330 0.80 THRA (0.62) PLK1RARBTHRBTHRA
SCHEMBL9365114 0.80 THRA (0.62) PLK1RARBTHRBTHRA
SCHEMBL28477008 0.80 THRA (0.62) PLK1RARBTHRBTHRA
SCHEMBL10660017 0.79 MCL1 (0.63) PLK1THRBTHRAKDM6BKDM4A
SCHEMBL22075766 0.78 ESR1 (0.49) PLK1THRBTHRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3377473-B1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2024-06-19 EP disclosed
US-20230133817-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2023-05-04 US disclosed
US-20230133817-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2023-05-04 US disclosed
CN-108884058-B Macrocyclic broad spectrum antibiotics 阿奇克斯制药公司 2022-04-29 CN disclosed
CN-108884058-A MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS 阿奇克斯制药公司 2018-11-23 CN disclosed
US-20180327367-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS WUXI APPTEC CO., LTD (CN) 2018-11-15 US disclosed
EP-3377473-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX Pharmaceuticals, Inc. (US) 2018-09-26 EP 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-20180327367-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC PLK1 1460/4885RARB 1554/4885THRB 2804/4885
US-20230133817-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC PLK1 1460/4885RARB 1554/4885THRB 2804/4885

“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.