SCHEMBL7573046

SCHEMBL7573046

CC(C)NC(COc1ccc(CCl)cc1)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 5/20 0.38
▸ ADRB1 P08588 5/20 0.38
▸ ADRA1A P35348 3/20 0.38
▸ CYP2D6 P10635 2/20 0.38
▸ NR3C1 P04150 1/20 0.38
▸ CYP2J2 P51589 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ LMNA P02545 3/20 0.37
▸ TDP1 Q9NUW8 3/20 0.37
▸ TSHR P16473 3/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ NFKB1 P19838 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ GLA P06280 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ CNR1 P21554 1/20 0.37
▸ ADRA1D P25100 1/20 0.37
▸ ADRA1B P35368 1/20 0.37
▸ THPO P40225 1/20 0.37
▸ BLM P54132 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
SCHEMBL7074595 0.79 NQO1 (0.50) TDP1TSHRKDM4EALDH1A1SMN1; SMN2
SCHEMBL15697349 0.79 ACACB (0.47) ADRB2ADRB1CYP2D6LMNACYP1A2
SCHEMBL4527180 0.76 MAPT (0.50) LMNATSHRKDM4EALDH1A1SMN1; SMN2
SCHEMBL20003407 0.73 LMNA (0.62) ADRB2ADRB1ADRA1ACYP2D6NR3C1
SCHEMBL11020445 0.71 PTGS1 (0.72) ADRB2ADRB1ADRA1ACYP2D6NR3C1
SCHEMBL28130247 0.69 ACACB (0.44) ADRB2ADRB1KCNH2ADRB3
SCHEMBL9819723 0.68 TDP1 (0.61) LMNATDP1TSHRALDH1A1SMN1; SMN2
SCHEMBL1390870 0.68 NQO1 (0.67) LMNATDP1TSHRKDM4EALDH1A1
SCHEMBL9705907 0.67 HRH3 (0.42) TSHRHRH3
SCHEMBL1390783 0.66 POLB (0.55) CYP2D6LMNACYP1A2KDM4EGLA

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-20020006922-A1 N-hydroxy-2-(alkyl, aryl, or heteroaryl sulfanyl, sulfinyl or sulfonyl)-3-substituted alkyl, aryl or heteroarylamides as matrix metalloproteinase inhibitors AMERICAN CYANAMID COMPANY (US) 2002-01-17 — — 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-20020006922-A1 N-hydroxy-2-(alkyl, aryl, or heteroaryl sulfanyl, sulfinyl or sulfonyl)-3-substituted alkyl, aryl or heteroarylamides as matrix metalloproteinase inhibitors MMP12, ADAM33, MMP2 ADRB2 3459/4885ADRB1 3430/4885ADRA1A 3872/4885

“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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