SCHEMBL19637178

SCHEMBL19637178

COCc1cc(OS(=O)(=O)C(F)(F)F)c2ccccc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 4/20 0.36
▸ DRD4 P21917 4/20 0.36
▸ DRD3 P35462 4/20 0.36
▸ DRD1 P21728 2/20 0.36
▸ DRD5 P21918 2/20 0.36
▸ PTPN1 P18031 1/20 0.34
▸ TUBB4A P04350 1/20 0.34
▸ TUBB P07437 1/20 0.34
▸ TUBA3C P0DPH7 1/20 0.34
▸ TUBA1B P68363 1/20 0.34
▸ TUBA4A P68366 1/20 0.34
▸ TUBB4B P68371 1/20 0.34
▸ TUBB3 Q13509 1/20 0.34
▸ TUBB2A Q13885 1/20 0.34
▸ TUBB8 Q3ZCM7 1/20 0.34
▸ TUBA3E Q6PEY2 1/20 0.34
▸ TUBA1A Q71U36 1/20 0.34
▸ TUBA1C Q9BQE3 1/20 0.34
▸ TUBB6 Q9BUF5 1/20 0.34
▸ TUBB2B Q9BVA1 1/20 0.34

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
SCHEMBL16539802 0.84 TOP2A (0.35) DRD2DRD4DRD3DRD1DRD5
SCHEMBL1408383 0.80 TUBB4A (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL30064889 0.80 TUBB4A (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL19617287 0.80 TDP1 (0.35) DRD2DRD4DRD3DRD1DRD5
SCHEMBL19959255 0.79 CYP1A2 (0.43) DRD2DRD4DRD3DRD1DRD5
SCHEMBL2656359 0.79 NQO2 (0.43) PTPN1MRGPRX4MAPT
SCHEMBL30064989 0.79 NQO2 (0.43) PTPN1MRGPRX4MAPT
SCHEMBL31722992 0.79 ADORA2A (0.39) DRD2DRD4DRD3DRD1DRD5
SCHEMBL28211609 0.79 ADORA2A (0.34) DRD2DRD4DRD3DRD1DRD5
SCHEMBL29210252 0.78 HSD17B10 (0.35) DRD2DRD4DRD3DRD1DRD5

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-20230373999-A1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2023-11-23 — — US disclosed
US-20180072723-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. 2018-03-15 — — US disclosed
WO-2017201161-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2017-11-23 — — 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 (2 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-20180072723-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS DRD2 4727/4885DRD4 4810/4885DRD3 4776/4885
US-20230373999-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS DRD2 4727/4885DRD4 4810/4885DRD3 4776/4885

“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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