SCHEMBL18062179

SCHEMBL18062179

O=S(=O)(Cl)n1nnc2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.64
KMT2A Q03164 2/20 0.61
MAPK1 P28482 2/20 0.61
CYP2C19 P33261 1/20 0.61
MEN1 O00255 1/20 0.61
LMNA P02545 1/20 0.55
HPGD P15428 1/20 0.55
HTT P42858 1/20 0.54
ALDH1A1 P00352 2/20 0.53
TSHR P16473 4/20 0.51
HSD17B10 Q99714 2/20 0.51
SMN1; SMN2 Q16637 5/20 0.49
GAA P10253 1/20 0.49
POLB P06746 1/20 0.47
ATM Q13315 1/20 0.47
KEAP1 Q14145 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL16974408 0.84 KMT2A (0.70) SLC9A1KMT2AMAPK1CYP2C19MEN1
SCHEMBL439391 0.81 SLC9A1 (0.64) SLC9A1KMT2AMAPK1CYP2C19MEN1
SCHEMBL22494210 0.81 SLC9A1 (0.64) SLC9A1KMT2AMAPK1CYP2C19MEN1
SCHEMBL3079415 0.81 SLC9A1 (0.64) SLC9A1KMT2AMAPK1CYP2C19MEN1
SCHEMBL29479871 0.81 SLC9A1 (0.64) SLC9A1KMT2AMAPK1CYP2C19MEN1
SCHEMBL27922578 0.81 SLC9A1 (0.64) SLC9A1KMT2AMAPK1CYP2C19MEN1
SCHEMBL9642423 0.79 SLC9A1 (0.62) SLC9A1KMT2AMAPK1CYP2C19MEN1
SCHEMBL10608005 0.79 SLC9A1 (0.62) SLC9A1KMT2AMAPK1CYP2C19MEN1
SCHEMBL2491809 0.78 SLC9A1 (1.00) SLC9A1KMT2AMAPK1CYP2C19MEN1
SCHEMBL29479875 0.78 SLC9A1 (1.00) SLC9A1KMT2AMAPK1CYP2C19MEN1

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-20160257709-A1 HEMIASTERLIN DERIVATIVES FOR CONJUGATION AND THERAPY SUTRO BIOPHARMA, INC. 2016-09-08 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-20160257709-A1 HEMIASTERLIN DERIVATIVES FOR CONJUGATION AND THERAPY CYP17A1, HSD17B7, SHBG SLC9A1 3408/4885KMT2A 2712/4885MAPK1 3157/4885

“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.