SCHEMBL22493797

SCHEMBL22493797

COC(=O)CCSc1cccc2c1CC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.41
▸ GSTP1 P09211 1/20 0.41
▸ GSTM2 P28161 1/20 0.41
▸ POLB P06746 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ MTNR1A P48039 6/20 0.37
▸ MTNR1B P49286 6/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ LMNA P02545 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ THRA P10827 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ NPC1 O15118 1/20 0.35

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
SCHEMBL10588609 0.75 LMNA (0.47) GSTP1GSTM2POLBHSD17B10KDM4E
SCHEMBL19704714 0.75 ALDH1A1 (0.43) GSTP1GSTM2KDM4EALDH1A1LMNA
SCHEMBL2116085 0.75 CYP1A2 (0.54) GSTP1GSTM2POLBHSD17B10KDM4E
SCHEMBL7776841 0.73 HSD17B10 (0.72) POLBHSD17B10KDM4EALDH1A1KMT2A
SCHEMBL8675041 0.73 APOBEC3G (0.46) GSTP1GSTM2POLBHSD17B10KDM4E
SCHEMBL23977089 0.72 MAPT (0.46) GSTP1GSTM2POLBHSD17B10ALDH1A1
SCHEMBL22303480 0.72 GSTP1 (0.40) GSTP1GSTM2POLBHSD17B10KDM4E
SCHEMBL22303520 0.72 MTNR1A (0.48) GSTP1GSTM2POLBHSD17B10ALDH1A1
SCHEMBL19704645 0.72 GSTP1 (0.40) GSTP1GSTM2POLBHSD17B10ALDH1A1
SCHEMBL31381538 0.72 GSTP1 (0.40) GSTP1GSTM2POLBHSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240124453-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2024-04-18 — — US disclosed
US-11884664-B2 Protein tyrosine phosphatase inhibitors ARRAY BIOPHARMA INC. (US) 2024-01-30 — — US disclosed
US-11634417-B2 Protein tyrosine phosphatase inhibitors ARRAY BIOPHARMA INC. (US) 2023-04-25 — — US disclosed
US-20220251083-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2022-08-11 — — US disclosed
US-20200317665-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2020-10-08 — — 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 (5 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-11884664-B2 Protein tyrosine phosphatase inhibitors PPM1A, PPM1F, PPP5C NOTUM 2105/4885GSTP1 1403/4885GSTM2 2407/4885
US-20200317665-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS PPM1A, PPM1F, PPP5C NOTUM 2105/4885GSTP1 1403/4885GSTM2 2407/4885
US-20240124453-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS PPM1A, PPM1F, PPP5C NOTUM 2105/4885GSTP1 1403/4885GSTM2 2407/4885
US-11634417-B2 Protein tyrosine phosphatase inhibitors PPM1A, PPM1F, PPP5C NOTUM 2105/4885GSTP1 1403/4885GSTM2 2407/4885
US-20220251083-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS PPM1A, PPM1F, PPP5C NOTUM 2105/4885GSTP1 1403/4885GSTM2 2407/4885

“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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