SCHEMBL3774843

SCHEMBL3774843

O=C(O)CCC(CN=S(=O)(c1ccccc1)c1ccccc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CPA3 P15088 1/20 0.51
▸ MMP9 P14780 1/20 0.43
▸ MMP8 P22894 1/20 0.43
▸ MMP13 P45452 1/20 0.43
▸ ADAMTS4 O75173 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.41
▸ CYP2D6 P10635 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ FOLH1 Q04609 5/20 0.41
▸ NAALAD2 Q9Y3Q0 1/20 0.37
▸ TBXA2R P21731 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ ALOX12 P18054 1/20 0.37

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
SCHEMBL1376096 0.87 CPA3 (0.41) CPA3MMP9MMP8MMP13ADAMTS4
SCHEMBL1376183 0.81 CPA3 (0.58) CPA3ALDH1A1CYP2D6CYP1A2TSHR
SCHEMBL1377036 0.77 CPA3 (0.54) CPA3MMP8MMP13CYP1A2FOLH1
SCHEMBL1377052 0.76 CPA3 (0.56) CPA3MMP9MMP8MMP13ADAMTS4
SCHEMBL5057861 0.75 CPA3 (0.51) CPA3MMP9MMP8FOLH1MAPK1
SCHEMBL1376125 0.74 FOLH1 (0.48) CYP1A2FOLH1NAALAD2
SCHEMBL8208550 0.72 CPA3 (0.55) CPA3ALDH1A1CYP2D6CYP1A2TSHR
SCHEMBL1374810 0.72 FOLH1 (0.47) FOLH1NAALAD2
SCHEMBL23923864 0.71 CPA3 (0.53) CPA3ALDH1A1CYP2D6CYP1A2TSHR
SCHEMBL1374295 0.69 FOLH1 (0.43) FOLH1NAALAD2

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-20230346752-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING PURDUE RESEARCH FOUNDATION 2023-11-02 — — US disclosed
US-20190275181-A1 Compounds for Positron Emission Tomography ENDOCYTE INC (US) 2019-09-12 — — US disclosed
US-9193763-B2 PSMA binding ligand-linker conjugates and methods for using PURDUE RESEARCH FOUNDATION (US) 2015-11-24 — — US disclosed
US-20100324008-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING PURDUE RESEARCH FOUNDATION (US) 2010-12-23 — — US disclosed
US-20080311037-A1 Compounds which bind PSMA and uses thereof NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2008-12-18 — — US disclosed
WO-2006093991-A1 COMPOUNDS WHICH BIND PSMA AND USES THEREOF THE CLEVELAND CLINIC FOUNDATION (US) 2006-09-08 — — 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 (4 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-20190275181-A1 Compounds for Positron Emission Tomography FOLH1, FOLR2, FOLR1 CPA3 611/4885MMP9 2540/4885MMP8 4412/4885
US-20080311037-A1 Compounds which bind PSMA and uses thereof FOLH1, PSMA1, BPHL CPA3 283/4885MMP9 1674/4885MMP8 3020/4885
US-20100324008-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING FOLH1, KLK3, PSMA1 CPA3 525/4885MMP9 2571/4885MMP8 3252/4885
US-20230346752-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING FOLH1, KLK3, PSMA1 CPA3 525/4885MMP9 2571/4885MMP8 3252/4885

“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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