SCHEMBL23327045

SCHEMBL23327045

C[C@H]1c2cc(Oc3ccnc4c3cc(C3CC3)n4S(=O)(=O)c3ccccc3)ccc2CCN1C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAS2R14 Q9NYV8 2/20 0.35
▸ PARP1 P09874 1/20 0.34
▸ AKR1C3 P42330 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ PTGDR2 Q9Y5Y4 2/20 0.33
▸ HRH3 Q9Y5N1 3/20 0.32
▸ MTNR1A P48039 1/20 0.32
▸ MTNR1B P49286 1/20 0.32
▸ MMP1 P03956 1/20 0.32
▸ MMP2 P08253 1/20 0.32
▸ MMP7 P09237 1/20 0.32
▸ MMP9 P14780 1/20 0.32
▸ MMP12 P39900 1/20 0.32
▸ MMP14 P50281 1/20 0.32
▸ MMP15 P51511 1/20 0.32
▸ MMP16 P51512 1/20 0.32
▸ MMP26 Q9NRE1 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32

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
SCHEMBL21470487 0.91 GHSR (0.36) TAS2R14PARP1HTR6
SCHEMBL21470488 0.90 HTR6 (0.34) TAS2R14AKR1C3HRH3HTR6DRD3
SCHEMBL23326996 0.89 TAS2R14 (0.36) TAS2R14PARP1AKR1C3NPC1POLB
SCHEMBL23327005 0.88 TAS2R14 (0.35) TAS2R14PARP1AKR1C3NPC1POLB
SCHEMBL23326955 0.85 TAS2R14 (0.35) TAS2R14PARP1AKR1C3NPC1POLB
SCHEMBL23326956 0.85 TAS2R14 (0.35) TAS2R14PARP1AKR1C3NPC1POLB
SCHEMBL23327042 0.84 TAS2R14 (0.37) TAS2R14PARP1AKR1C3NPC1POLB
SCHEMBL21470704 0.81 GHSR (0.37) TAS2R14PARP1
SCHEMBL23353650 0.80 GHSR (0.36) TAS2R14PARP1NPC1POLB
SCHEMBL23353525 0.80 GHSR (0.38) TAS2R14PARP1HTR6

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-20210139484-A1 DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS GOSSAMER BIO SERVICES INC (US) 2021-05-13 — — 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-20210139484-A1 DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS ULK1, PHKG2, PHKG1 TAS2R14 4112/4885PARP1 227/4885AKR1C3 3238/4885

“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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