SCHEMBL24635805

SCHEMBL24635805

COC(=O)CCSc1cnc(N)c(Cl)c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSTP1 P09211 1/20 0.38
▸ GSTM2 P28161 1/20 0.38
▸ CXCR1 P25024 1/20 0.37
▸ CXCR2 P25025 1/20 0.37
▸ PTPN11 Q06124 1/20 0.36
▸ KMT2A Q03164 4/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ POLB P06746 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ PTGS1 P23219 1/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ RIN1 Q13671 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ PRNP P04156 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL18320494 0.80 KMT2A (0.43) GSTP1GSTM2CXCR1CXCR2PTPN11
SCHEMBL30660933 0.80 KMT2A (0.43) GSTP1GSTM2CXCR1CXCR2PTPN11
SCHEMBL21852192 0.76 GSTP1 (0.42) GSTP1GSTM2CXCR1CXCR2PTPN11
SCHEMBL19704645 0.74 GSTP1 (0.40) GSTP1GSTM2KMT2AALDH1A1MEN1
SCHEMBL18320486 0.73 KMT2A (0.44) GSTP1GSTM2CXCR1CXCR2KMT2A
SCHEMBL29603922 0.73 KMT2A (0.44) GSTP1GSTM2CXCR1CXCR2KMT2A
SCHEMBL16488510 0.73 CXCR1 (0.38) GSTP1GSTM2CXCR1CXCR2KMT2A
SCHEMBL19704097 0.72 MAPKAPK2 (0.37) GSTP1GSTM2CXCR1CXCR2KMT2A
SCHEMBL29506060 0.71 KMT2A (0.45) GSTP1GSTM2CXCR1CXCR2KMT2A
SCHEMBL18319841 0.71 KMT2A (0.45) GSTP1GSTM2CXCR1CXCR2KMT2A

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
US-20230234958-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF D. E. SHAW RESEARCH, LLC 2023-07-27 — — US disclosed
US-20220340576-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. 2022-10-27 — — US disclosed
US-20220315586-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF SCHRODINGER, INC. 2022-10-06 — — 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 (3 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-20220340576-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PTPRCAP, PTPN22, PTPN1 GSTP1 1214/4885GSTM2 1455/4885CXCR1 697/4885
US-20230234958-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PTPRCAP, PTPN22, PTPN1 GSTP1 1214/4885GSTM2 1455/4885CXCR1 697/4885
US-20220315586-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PTPRCAP, PTPN22, PTPN1 GSTP1 1214/4885GSTM2 1455/4885CXCR1 697/4885

“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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