SCHEMBL2065487

SCHEMBL2065487

O=C1NC(=S)SC1=Cc1cc(Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRHBP P24387 3/20 0.72
▸ CRHR2 Q13324 3/20 0.72
▸ PTP4A3 O75365 2/20 0.72
▸ GSK3B P49841 2/20 0.57
▸ PIM1 P11309 1/20 0.56
▸ NAT1 P18440 4/20 0.56
▸ MYC P01106 1/20 0.56
▸ MAX P61244 1/20 0.56
▸ PLA2G1B P04054 1/20 0.55
▸ ATG4B Q9Y4P1 1/20 0.55
▸ DNM1 Q05193 1/20 0.53
▸ TDP2 O95551 1/20 0.51
▸ CASP7 P55210 1/20 0.51
▸ CASP9 P55211 1/20 0.51
▸ CASP6 P55212 1/20 0.51
▸ CASP8 Q14790 1/20 0.51
▸ MGAM O43451 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ SI P14410 1/20 0.51
▸ MGAM2 Q2M2H8 1/20 0.51

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
SCHEMBL2065485 1.00 CRHBP (0.72) CRHBPCRHR2PTP4A3GSK3BPIM1
SCHEMBL13499573 0.90 CRHBP (0.68) CRHBPCRHR2PTP4A3GSK3BPIM1
SCHEMBL14610176 0.89 PTP4A3 (0.70) CRHBPCRHR2PTP4A3PIM1NAT1
SCHEMBL10090226 0.88 PTP4A3 (0.68) CRHBPCRHR2PTP4A3GSK3BPIM1
SCHEMBL28965550 0.84 PTP4A3 (1.00) CRHBPCRHR2PTP4A3PIM1NAT1
SCHEMBL8310830 0.82 TDP2 (0.75) CRHBPCRHR2PTP4A3GSK3BPIM1
SCHEMBL8310829 0.82 TDP2 (0.75) CRHBPCRHR2PTP4A3GSK3BPIM1
SCHEMBL18102858 0.79 PTP4A3 (0.75) CRHBPCRHR2PTP4A3GSK3BPIM1
SCHEMBL14899471 0.79 PTP4A3 (0.75) CRHBPCRHR2PTP4A3PIM1NAT1
SCHEMBL20535128 0.79 PTP4A3 (0.79) CRHBPCRHR2PTP4A3PIM1NAT1

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-8148541-B2 Rhodanine derivatives, a process for the preparation thereof and pharmaceutical composition containing the same KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2012-04-03 — — US claimed
US-20090042872-A1 Rhodanine Derivatives, a Process for the Preparation Thereof and Pharmaceutical Composition Containing the Same KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2009-02-12 — — US claimed
US-8148541-B2 Rhodanine derivatives, a process for the preparation thereof and pharmaceutical composition containing the same KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2012-04-03 — — US disclosed
US-20090042872-A1 Rhodanine Derivatives, a Process for the Preparation Thereof and Pharmaceutical Composition Containing the Same KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2009-02-12 — — 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 (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-20090042872-A1 Rhodanine Derivatives, a Process for the Preparation Thereof and Pharmaceutical Composition Containing the Same PTPRR, PTPRG, PTPRS CRHBP 480/4885CRHR2 1251/4885PTP4A3 28/4885

“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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