SCHEMBL19083016

SCHEMBL19083016

Cc1ccc(S(=O)(=O)Nc2ccc(Br)cc2C(=O)O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 6/20 1.00
KDM1A O60341 1/20 0.66
CYP2C9 P11712 2/20 0.64
CYP1A2 P05177 1/20 0.64
MCL1 Q07820 2/20 0.55
SLC10A2 Q12908 1/20 0.55
SLC10A1 Q14973 1/20 0.55
SLC10A6 Q3KNW5 1/20 0.55
CCR9 P51686 3/20 0.55
BCL2A1 Q16548 1/20 0.55
LMNA P02545 1/20 0.54
HTT P42858 1/20 0.54
CYP2C19 P33261 1/20 0.54

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
SCHEMBL12570805 0.88 METAP2 (0.86) METAP2CYP2C9CYP1A2MCL1LMNA
SCHEMBL6432619 0.86 METAP2 (0.76) METAP2KDM1ACYP2C9CYP1A2SLC10A2
SCHEMBL5925257 0.86 METAP2 (1.00) METAP2KDM1ASLC10A2SLC10A1SLC10A6
SCHEMBL29148 0.86 METAP2 (0.75) METAP2CYP2C9CYP1A2SLC10A6CCR9
SCHEMBL16496289 0.86 METAP2 (0.75) METAP2KDM1ACYP2C9CYP1A2MCL1
SCHEMBL4649665 0.85 METAP2 (0.74) METAP2KDM1AMCL1SLC10A2SLC10A1
SCHEMBL6348358 0.84 METAP2 (0.71) METAP2KDM1ASLC10A2SLC10A1SLC10A6
SCHEMBL9164473 0.83 METAP2 (0.85) METAP2CYP2C9CYP1A2CCR9LMNA
SCHEMBL12200769 0.83 METAP2 (0.71) METAP2KDM1ACYP2C9CYP1A2MCL1
SCHEMBL28841487 0.82 METAP2 (0.70) METAP2KDM1ACYP2C9CYP1A2CCR9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170190675-A1 CHEMICAL MODULATORS OF IMMUNE CHECKPOINTS AND THERAPEUTIC USE DUKE UNIVERSITY 2017-07-06 US disclosed
US-20170190675-A1 CHEMICAL MODULATORS OF IMMUNE CHECKPOINTS AND THERAPEUTIC USE DUKE UNIVERSITY 2017-07-06 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-20170190675-A1 CHEMICAL MODULATORS OF IMMUNE CHECKPOINTS AND THERAPEUTIC USE CD274, PDCD1, PDCD1LG2 METAP2 2068/4885KDM1A 433/4885CYP2C9 4747/4885

“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.