SCHEMBL21565009

SCHEMBL21565009

CC(C)Nc1cccc(C(F)(P)P)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
MMP2 P08253 1/20 0.44
TRPA1 O75762 2/20 0.43
ALDH1A1 P00352 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
CYP3A4 P08684 2/20 0.40
LMNA P02545 1/20 0.40
THRB P10828 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
ALOX12 P18054 1/20 0.40
RECQL P46063 1/20 0.40
ATM Q13315 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
IDH2 P48735 1/20 0.38

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
SCHEMBL633235 0.85 CA12 (0.58) TDP1CA12CA1MMP2TRPA1
SCHEMBL24218848 0.84 TDP1 (0.47) TDP1CA12CA1MMP2TRPA1
SCHEMBL12368474 0.79 TDP1 (0.50) TDP1CA12CA1MMP2TRPA1
SCHEMBL18893160 0.76 CA12 (0.49) TDP1CA12CA1MMP2TRPA1
SCHEMBL9313156 0.76 TDP1 (0.67) TDP1CA12MMP2TRPA1ALDH1A1
SCHEMBL19708735 0.71 CA12 (0.55) TDP1CA12CA1MMP2TRPA1
SCHEMBL8102985 0.71 CA12 (0.59) TDP1CA12CA1MMP2ALDH1A1
SCHEMBL18950442 0.71 KCNH3 (0.40) TDP1CA12CA1MMP2TRPA1
SCHEMBL632883 0.71 CA12 (0.55) TDP1CA12MMP2ALDH1A1L3MBTL1
SCHEMBL487357 0.71 TDP1 (0.54) TDP1TRPA1ALDH1A1L3MBTL1CYP3A4

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-11229649-B2 Methods for treating cryptosporidiosis using triazolopyridazines UNIVERSITY OF VERMONT AND STATE AGRICULTURAL COLLEGE (US) 2022-01-25 US disclosed
US-20190343837-A1 METHODS FOR TREATING CRYPTOSPORIDIOSIS USING TRIAZOLOPYRIDAZINES UNIVERSITY OF VERMONT AND STATE AGRICULTURAL COLLEGE 2019-11-14 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-11229649-B2 Methods for treating cryptosporidiosis using triazolopyridazines CLPP, SI, SAMHD1 TDP1 1472/4885CA12 1536/4885CA1 491/4885
US-20190343837-A1 METHODS FOR TREATING CRYPTOSPORIDIOSIS USING TRIAZOLOPYRIDAZINES CLPP, SI, SAMHD1 TDP1 1472/4885CA12 1536/4885CA1 491/4885

“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.