SCHEMBL11932007

SCHEMBL11932007

Cc1cccc(S(=O)(=O)N(C2CC2)C2CCN(C(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C)CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
MEN1 O00255 1/20 0.52
MAPK1 P28482 1/20 0.51
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
CCKBR P32239 1/20 0.44
CACNA1B Q00975 10/20 0.44
NR1I2 O75469 2/20 0.44
HRH2 P25021 2/20 0.41
HRH1 P35367 2/20 0.41
CYP3A4 P08684 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
SCHEMBL8234436 0.90 CACNA1B (0.56) MAPK1CACNA1BNR1I2CYP3A4
SCHEMBL13932880 0.88 MAPK1 (0.53) KMT2AMEN1MAPK1ALDH1A1LMNA
SCHEMBL4278741 0.86 CCKBR (0.45) KMT2AMEN1CCKBRCACNA1BNR1I2
SCHEMBL4284293 0.86 CCKBR (0.45) KMT2AMEN1CCKBRCACNA1BNR1I2
SCHEMBL4280044 0.84 CACNA1B (0.53) KMT2ACACNA1BNR1I2CYP3A4
SCHEMBL13932876 0.83 MAPK1 (0.53) KMT2AMEN1MAPK1ALDH1A1LMNA
SCHEMBL13932891 0.83 ALDH1A1 (0.47) KMT2AMEN1MAPK1ALDH1A1LMNA
SCHEMBL13932875 0.81 MMP1 (0.49) KMT2AMEN1MAPK1ALDH1A1LMNA
SCHEMBL4278449 0.80 CACNA1B (0.53) CACNA1BNR1I2CYP3A4
SCHEMBL13932883 0.80 MAPK1 (0.48) KMT2AMEN1MAPK1ALDH1A1LMNA

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-20230165812-A1 NOCICEPTOR NEURONS CONTROL CANCER IMMUNOSURVEILLANCE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-06-01 US disclosed
US-20120172429-A1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI- INFLAMMATORY AGENTS THE GENERAL HOSPITAL CORPORATION 2012-07-05 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 (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-20120172429-A1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI- INFLAMMATORY AGENTS TRPV1, CACNA1B, ORAI1 KMT2A 2190/4885MEN1 2018/4885MAPK1 2064/4885
US-20230165812-A1 NOCICEPTOR NEURONS CONTROL CANCER IMMUNOSURVEILLANCE OPRL1, MRGPRX1, RAMP1 KMT2A 4362/4885MEN1 1225/4885MAPK1 2132/4885

“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.