SCHEMBL4977372

SCHEMBL4977372

CC(C)(C)c1ccccc1[C@@H]1C=C(OS(=O)(=O)C(F)(F)F)CN1C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 7/20 0.34
DRD2 P14416 4/20 0.34
DRD1 P21728 4/20 0.34
DRD4 P21917 4/20 0.34
DRD5 P21918 4/20 0.34
DRD3 P35462 4/20 0.34
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31

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
SCHEMBL4063484 0.82 KIF11 (0.37) DRD2DRD1DRD4DRD5DRD3
SCHEMBL4038267 0.82 KIF11 (0.37) DRD2DRD1DRD4DRD5DRD3
SCHEMBL4032657 0.74 NR1H2 (0.42)
SCHEMBL4032654 0.74 NR1H2 (0.42)
SCHEMBL23452363 0.72 DRD2 (0.30) DRD2DRD3
SCHEMBL21199457 0.72 DRD2 (0.30) DRD2DRD3
SCHEMBL21199459 0.72 DRD2 (0.30) DRD2DRD3
SCHEMBL28766813 0.71 DRD2 (0.35) DRD2DRD1DRD4DRD5DRD3
SCHEMBL17242296 0.70 SMYD2 (0.37) DRD2DRD1DRD4DRD5DRD3
SCHEMBL25363324 0.70 SMYD2 (0.37) DRD2DRD1DRD4DRD5DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7348440-B2 Kinesin spindle protein (KSP) inhibitors, e.g., 4-(2,5-Difluorophenyl)-N-[(3S,4S)-3-fluoropiperidin-4-yl]-2-hydroxymethyl)-N-methyl-2-phenyl-2,5-dihydro-1N-pyrrole-1-carboxamide, and a carrier; antiproliferative and -carcinogenic agents; side effects reduction; used with an estrogen receptor modulator MERCK & CO., INC. (US) 2008-03-25 US disclosed
US-20060105997-A1 Mitotic kinesin inhibitors MERCK SHARP & DOHME CORP. 2006-05-18 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-20060105997-A1 Mitotic kinesin inhibitors KIF5B, KIF2C, KIF18B RBP4 4495/4885DRD2 4648/4885DRD1 4331/4885

“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.