SCHEMBL14830605

SCHEMBL14830605

O=S(=O)(Nc1cc(F)ccc1F)C1CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MRGPRX1 Q96LB2 6/20 0.48
TSPO P30536 2/20 0.48
MAP2K4 P45985 4/20 0.48
MAP2K7 O14733 1/20 0.45
HRH1 P35367 1/20 0.45
ACLY P53396 1/20 0.44
KIT P10721 3/20 0.44
BRAF P15056 2/20 0.41
CCR2 P41597 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
ABL1 P00519 1/20 0.41
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL14830633 0.86 KIT (0.52) MRGPRX1TSPOMAP2K4HRH1ACLY
SCHEMBL15847815 0.80 ACLY (0.51) MRGPRX1TSPOACLYBRAFKMT2A
SCHEMBL3336145 0.80 BRAF (0.38) MRGPRX1TSPOHRH1ACLYKIT
SCHEMBL15847893 0.80 ACLY (0.60) MRGPRX1TSPOMAP2K4MAP2K7HRH1
SCHEMBL14830870 0.79 PSIP1 (0.53) MRGPRX1TSPOPOLBTSHR
SCHEMBL26120220 0.79 ATM (0.46) MRGPRX1TSPOMAP2K4MAP2K7HRH1
SCHEMBL17465678 0.79 ACLY (0.41) MRGPRX1TSPOACLYBRAFKMT2A
SCHEMBL15847536 0.77 MRGPRX1 (0.59) MRGPRX1TSPOMAP2K4HRH1BRAF
SCHEMBL15847427 0.76 ACLY (0.54) MRGPRX1TSPOACLYBRAFPOLB
SCHEMBL28045960 0.75 MRGPRX1 (0.39) MRGPRX1TSPOHRH1ACLYBRAF

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
EP-2760845-B1 HETEROCYCLIC COMPOUNDS AS MDM2 INHIBITORS FOR THE TREATMENT OF CANCER AMGEN INC (US) 2016-11-16 EP disclosed
US-9376425-B2 Heterocyclic compounds as MDM2 inhibitors for the treatment of cancer AMGEN, INC. (US) 2016-06-28 US disclosed
US-20140235629-A1 HETEROCYCLIC COMPOUNDS AS MDM2 INHIBITORS FOR THE TREATMENT OF CANCER AMGEN INC. 2014-08-21 US disclosed
EP-2760845-A1 HETEROCYCLIC COMPOUNDS AS MDM2 INHIBITORS FOR THE TREATMENT OF CANCER Amgen Inc. (US) 2014-08-06 EP disclosed
WO-2013049250-A1 HETEROCYCLIC COMPOUNDS AS MDM2 INHIBITORS FOR THE TREATMENT OF CANCER AMGEN INC. (US) 2013-04-04 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 (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-20140235629-A1 HETEROCYCLIC COMPOUNDS AS MDM2 INHIBITORS FOR THE TREATMENT OF CANCER MDM2, TP53, CDKN1A MRGPRX1 4275/4885TSPO 4182/4885MAP2K4 3441/4885

“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.