SCHEMBL21292864

SCHEMBL21292864

COC(=O)c1ccc(S(=O)(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
STS P08842 3/20 0.57
GPR119 Q8TDV5 3/20 0.54
CCR8 P51685 1/20 0.54
ALDH1A1 P00352 1/20 0.51
SFRP1 Q8N474 4/20 0.51
MMP13 P45452 4/20 0.50
MMP1 P03956 3/20 0.50
MMP3 P08254 3/20 0.50
MMP7 P09237 3/20 0.50
MMP9 P14780 3/20 0.50
MMP8 P22894 3/20 0.50
MMP2 P08253 2/20 0.50
LIMK2 P53671 1/20 0.50

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
SCHEMBL24169967 0.90 CCR8 (0.57) STSGPR119CCR8SFRP1MMP13
SCHEMBL6195397 0.87 STS (0.58) STSGPR119CCR8ALDH1A1SFRP1
SCHEMBL2961651 0.87 MMP13 (0.62) STSGPR119CCR8ALDH1A1SFRP1
SCHEMBL25432750 0.87 STS (0.56) STSGPR119CCR8ALDH1A1SFRP1
SCHEMBL15504588 0.86 STS (0.55) STSGPR119CCR8ALDH1A1SFRP1
SCHEMBL4602370 0.86 MMP13 (0.63) STSGPR119CCR8SFRP1MMP13
SCHEMBL7533683 0.86 STS (0.73) STSGPR119CCR8ALDH1A1SFRP1
SCHEMBL3413300 0.86 STS (0.57) STSGPR119CCR8ALDH1A1SFRP1
SCHEMBL21292730 0.84 STS (0.55) STSGPR119CCR8ALDH1A1SFRP1
SCHEMBL21292735 0.84 STS (0.55) STSGPR119CCR8SFRP1MMP13

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
EP-3759075-B1 COMPOUNDS WITH FERROPTOSIS INDUCING ACTIVITY AND METHODS OF THEIR USE FERRO THERAPEUTICS INC (US) 2025-07-23 EP disclosed
US-20230039846-A1 COMPOUNDS AND METHODS OF USE FERRO THERAPEUTICS INC (US) 2023-02-09 US disclosed
US-20230039846-A1 COMPOUNDS AND METHODS OF USE FERRO THERAPEUTICS INC (US) 2023-02-09 US disclosed
CN-112041301-A Compounds having iron death inducing activity and methods of use thereof 费罗治疗公司 2020-12-04 CN disclosed
US-20190263802-A1 COMPOUNDS AND METHOD OF USE MOLECULAR SKIN THERAPEUTICS, INC. 2019-08-29 US disclosed
US-20190263802-A1 COMPOUNDS AND METHOD OF USE MOLECULAR SKIN THERAPEUTICS, INC. 2019-08-29 US 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-20230039846-A1 COMPOUNDS AND METHODS OF USE AIFM2, GPX4, GPX1 STS 2651/4885GPR119 2189/4885CCR8 3158/4885
US-20190263802-A1 COMPOUNDS AND METHOD OF USE AIFM2, GPX4, GPX1 STS 2115/4885GPR119 2468/4885CCR8 3254/4885

“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.