SCHEMBL21048412

SCHEMBL21048412

O=P(O)(O)C[S+]([O-])c1nc2cc(C(F)(F)F)ccc2s1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.45
P2RY2 P41231 1/20 0.41
TRPV1 Q8NER1 3/20 0.40
ALOX5 P09917 1/20 0.40
NCS1 P62166 1/20 0.40
AKR1B1 P15121 9/20 0.39
ILK Q13418 2/20 0.38
AKR1A1 P14550 2/20 0.37
AGPAT2 O15120 2/20 0.36
AKR1B10 O60218 1/20 0.36
GLO1 Q04760 1/20 0.36

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
SCHEMBL19828320 0.83 DYRK1A (0.41) DYRK1AP2RY2TRPV1ALOX5NCS1
SCHEMBL7956829 0.76 DYRK1A (0.50) DYRK1ATRPV1ALOX5NCS1AKR1B1
SCHEMBL8133603 0.74 DYRK1A (0.41) DYRK1ATRPV1ALOX5NCS1AKR1B1
SCHEMBL21048429 0.72 ALOX5 (0.59) DYRK1AP2RY2TRPV1ALOX5NCS1
SCHEMBL9743459 0.71 ABL1 (0.39) DYRK1A
SCHEMBL19828322 0.69 ILK (0.39) DYRK1ATRPV1ALOX5NCS1AKR1B1
SCHEMBL3613102 0.67 DYRK1A (0.56) DYRK1ATRPV1ALOX5NCS1AKR1B1
Lithium Ion SCHEMBL31084584 0.67 DYRK1A (0.56) DYRK1ATRPV1ALOX5NCS1AKR1B1
SCHEMBL21048414 0.67 ACP3 (0.39)
SCHEMBL3642935 0.66 DYRK1A (0.58) DYRK1ATRPV1ALOX5NCS1AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10315990-B2 Isothiocyanate compounds and isothiocyanate XPO1 protein inhibitor drugs thereof DRIVINGFORCE THERAPEUTICS (CN) 2019-06-11 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-10315990-B2 Isothiocyanate compounds and isothiocyanate XPO1 protein inhibitor drugs thereof XPO1, XPOT, XPO4 DYRK1A 3977/4885P2RY2 4325/4885TRPV1 2038/4885

“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.