SCHEMBL3568682

SCHEMBL3568682

Cc1ccc(S(=O)(=O)OC(=O)[C@@H](N)C2CCCCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
HTT P42858 1/20 0.47
HSD17B10 Q99714 1/20 0.47
POLB P06746 2/20 0.46
ADORA3 P0DMS8 1/20 0.45
ALDH1A1 P00352 5/20 0.44
ENPP3 O14638 2/20 0.44
ENPP1 P22413 2/20 0.44
ENPP2 Q13822 2/20 0.44
CYP3A4 P08684 1/20 0.44
HPN P05981 4/20 0.44
PLAU P00749 3/20 0.44
METAP2 P50579 1/20 0.41
GAA P10253 1/20 0.41
KCNH2 Q12809 1/20 0.41
EPHX1 P07099 1/20 0.41
TP53 P04637 1/20 0.40
LMNA P02545 1/20 0.40
EPHX2 P34913 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
SCHEMBL3574348 1.00 TSHR (0.47) TSHRHTTHSD17B10POLBADORA3
SCHEMBL19858148 0.87 HPN (0.46) POLBALDH1A1ENPP3ENPP1ENPP2
SCHEMBL3254319 0.79 ALDH1A1 (0.50) POLBALDH1A1GAALMNA
SCHEMBL3725641 0.79 ALDH1A1 (0.50) POLBALDH1A1GAALMNA
SCHEMBL723060 0.79 ALDH1A1 (0.50) POLBALDH1A1GAALMNA
SCHEMBL6586026 0.77 ALDH1A1 (0.51) TSHRHTTHSD17B10POLBADORA3
SCHEMBL20968996 0.77 ALDH1A1 (0.47) POLBALDH1A1HPNPLAUGAA
SCHEMBL2754706 0.77 ALDH1A1 (0.51) TSHRHTTHSD17B10POLBADORA3
SCHEMBL5159692 0.77 ALDH1A1 (0.47) POLBALDH1A1HPNPLAUGAA
Cyclohexylglycyl SCHEMBL3574344 0.77 ADORA3 (0.46) TSHRHTTHSD17B10POLBADORA3

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-20100004250-A1 PTERIDINE DERIVATIVES AS POLO-LIKE KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER CHROMA THERAPEUTICS LTD. (GB) 2010-01-07 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-20100004250-A1 PTERIDINE DERIVATIVES AS POLO-LIKE KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER PLK2, PLK4, PLK3 TSHR 590/4885HTT 4514/4885HSD17B10 1856/4885

“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.