SCHEMBL22960747

SCHEMBL22960747

COB(O)c1cccc(-c2ccccc2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 2/20 0.62
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ ENPP2 Q13822 2/20 0.40
▸ PRSS1 P07477 1/20 0.40
▸ PRSS2 P07478 1/20 0.40
▸ PRSS3 P35030 1/20 0.40
▸ ABL1 P00519 1/20 0.39
▸ ABCB1 P08183 1/20 0.39
▸ BCR P11274 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.39
▸ CA4 P22748 1/20 0.38
▸ CA6 P23280 1/20 0.38
▸ CA5A P35218 1/20 0.38
▸ CA7 P43166 1/20 0.38
▸ CA14 Q9ULX7 1/20 0.38
▸ CA5B Q9Y2D0 1/20 0.38
▸ PCSK9 Q8NBP7 1/20 0.38
▸ ORAI1 Q96D31 1/20 0.38
▸ ORAI2 Q96SN7 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
SCHEMBL19474973 0.84 MGLL (0.44) MGLLADORA3
SCHEMBL16472962 0.82 MGLL (0.64) MGLLCA1CA2ENPP2PRSS1
SCHEMBL14819206 0.82 MGLL (0.58) MGLLCA1CA2ENPP2CA4
SCHEMBL691860 0.81 ENPP2 (0.50) MGLLCA1CA2ENPP2CA4
SCHEMBL29658033 0.81 MGLL (0.62) MGLLCA1CA2ENPP2PRSS1
SCHEMBL14983391 0.80 MGLL (0.55) MGLLCA1CA2ABL1ABCB1
SCHEMBL28291707 0.80 MGLL (0.51) MGLLADORA3HDAC8KMOKAT6A
Water SCHEMBL28105163 0.79 ENPP2 (0.48) MGLLCA1CA2ENPP2CA4
Ammonia Solution, Strong SCHEMBL28166457 0.79 ENPP2 (0.48) MGLLCA1CA2ENPP2CA4
SCHEMBL20273151 0.78 ENPP2 (0.59) MGLLCA1CA2ENPP2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210040079-A1 10H-phenothiazine ferroptosis inhibitor as well as the preparative method and the use thereof Chengdu Henghao Investment Co. Limited (CN) 2021-02-11 — — 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-20210040079-A1 10H-phenothiazine ferroptosis inhibitor as well as the preparative method and the use thereof AIFM2, FECH, GPX4 MGLL 1186/4885CA1 809/4885CA2 2427/4885

“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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