SCHEMBL11981308

SCHEMBL11981308

c1ccc(C2SC(c3ccccc3)SC(c3ccccc3)S2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.39
▸ MAOB P27338 8/20 0.38
▸ MAOA P21397 7/20 0.38
▸ KDM1A O60341 5/20 0.38
▸ CYP2C19 P33261 4/20 0.38
▸ CYP2B6 P20813 3/20 0.38
▸ CYP1A2 P05177 3/20 0.38
▸ LMNA P02545 3/20 0.38
▸ CYP2D6 P10635 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ TAAR1 Q96RJ0 2/20 0.38
▸ HTR1A P08908 1/20 0.38
▸ ADRA2A P08913 1/20 0.38
▸ CYP2A6 P11509 1/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ SLC6A3 Q01959 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
SCHEMBL10957391 0.83 KDM1A (0.33) TSHRMAOBMAOAKDM1ACYP2C19
SCHEMBL18919015 0.80 — —
SCHEMBL3096275 0.77 MAOB (0.38) TSHRMAOBMAOAKDM1ACYP2C19
SCHEMBL3096287 0.77 MAOB (0.38) TSHRMAOBMAOAKDM1ACYP2C19
SCHEMBL1157784 0.75 TSHR (0.36) TSHRMAOBMAOAKDM1ACYP2C19
SCHEMBL132148 0.75 TSHR (0.36) TSHRMAOBMAOAKDM1ACYP2C19
SCHEMBL11573778 0.73 TSHR (0.39) TSHRMAOBMAOAKDM1ACYP2C19
SCHEMBL28470973 0.73 HSD17B10 (0.37) TSHRMAOBMAOAKDM1ACYP2C19
SCHEMBL3078602 0.73 KDM4E (0.52) TSHRMAOBMAOAKDM1ACYP2C19
SCHEMBL20960545 0.72 KDM1A (0.35) MAOBMAOAKDM1ALMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2650274-B1 A thionation process and a thionating agent VIRONOVA THIONATION AB (SE) 2019-05-01 — — EP disclosed
US-9221855-B2 Thionation process and a thionating agent VIRONOVA THIONATION AB (SE) 2015-12-29 — — US disclosed
US-9221855-B2 Thionation process and a thionating agent VIRONOVA THIONATION AB (SE) 2015-12-29 — — US disclosed
US-9115158-B2 Thionating agent VIRONOVA THIONATION AB (SE) 2015-08-25 — — US disclosed
US-9115158-B2 Thionating agent VIRONOVA THIONATION AB (SE) 2015-08-25 — — US disclosed
US-20130303767-A1 THIONATING AGENT VIRONOVA THIONATION AB (SE) 2013-11-14 — — US disclosed
US-20130303767-A1 THIONATING AGENT VIRONOVA THIONATION AB (SE) 2013-11-14 — — US disclosed
EP-2569263-B1 A THIONATION PROCESS AND A THIONATING AGENT VIRONOVA AB (SE) 2013-11-13 — — EP disclosed
EP-2650274-A2 A thionation process and a thionating agent Vironova AB (SE) 2013-10-16 — — EP disclosed
US-20130102774-A1 THIONATION PROCESS AND A THIONATING AGENT VIRONOVA AB (SE) 2013-04-25 — — US disclosed
US-20130102774-A1 THIONATION PROCESS AND A THIONATING AGENT VIRONOVA AB (SE) 2013-04-25 — — US disclosed
WO-2012104415-A1 A THIONATION PROCESS AND A THIONATING AGENT VIRONOVA AB (SE) 2012-08-09 — — WO disclosed
EP-2484655-A1 A thionation process and a thionating agent Vironova AB (SE) 2012-08-08 — — 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-20130102774-A1 THIONATION PROCESS AND A THIONATING AGENT NT5M, NT5E, NUDT5 TSHR 1268/4885MAOB 2494/4885MAOA 2643/4885
US-20130303767-A1 THIONATING AGENT NT5E, NT5C2, NUDT5 TSHR 1626/4885MAOB 2390/4885MAOA 2312/4885

“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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