SCHEMBL21855742

SCHEMBL21855742

CC(C)(C)[S+]([O-])N[C@H]1c2ccccc2C12CCN(C(=O)O)CC2

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 6/20 0.33
▸ KDM1A O60341 1/20 0.33
▸ HSD11B1 P28845 3/20 0.32
▸ HSD11B2 P80365 1/20 0.31
▸ MCHR2 Q969V1 1/20 0.31
▸ OPRL1 P41146 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ HDAC1 Q13547 1/20 0.30
▸ HDAC8 Q9BY41 1/20 0.30
▸ HDAC6 Q9UBN7 1/20 0.30
▸ NPY5R Q15761 2/20 0.30

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
SCHEMBL21855745 1.00 TRPV1 (0.33) TRPV1KDM1AHSD11B1HSD11B2MCHR2
SCHEMBL21856074 1.00 TRPV1 (0.33) TRPV1KDM1AHSD11B1HSD11B2MCHR2
SCHEMBL21856072 1.00 TRPV1 (0.33) TRPV1KDM1AHSD11B1HSD11B2MCHR2
SCHEMBL21940603 0.87 KDM1A (0.43) KDM1AHDAC1HDAC8HDAC6
SCHEMBL21940363 0.87 KDM1A (0.43) KDM1AHDAC1HDAC8HDAC6
SCHEMBL25345543 0.80 RBP4 (0.31) HSD11B1NPY5R
SCHEMBL23024292 0.80 RBP4 (0.31) HSD11B1NPY5R
SCHEMBL25344060 0.80 HSD11B1 (0.30) HSD11B1
SCHEMBL23024291 0.80 RBP4 (0.31) HSD11B1NPY5R
SCHEMBL23024475 0.80 IDO1 (0.33) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3867238-B1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS ARRAY BIOPHARMA INC (US) 2023-06-07 — — EP disclosed
US-20210380582-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2021-12-09 — — US disclosed
WO-2020081848-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2020-04-23 — — WO 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-20210380582-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS PPM1A, PTP4A1, PPP5C TRPV1 4406/4885KDM1A 1264/4885HSD11B1 639/4885

“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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