SCHEMBL13340002

SCHEMBL13340002

Cc1ccc2c(c1)C(=O)CC1(CCNCC1)S2(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.39
ATM Q13315 3/20 0.38
HTT P42858 1/20 0.38
PARP10 Q53GL7 2/20 0.34
PARP1 P09874 1/20 0.34
RAD52 P43351 1/20 0.34
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
CA4 P22748 2/20 0.33
CA7 P43166 2/20 0.33
CA9 Q16790 2/20 0.33
CA12 O43570 1/20 0.33
GABRD O14764 2/20 0.33
GABRA1 P14867 2/20 0.33
GABRB1 P18505 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA3 P34903 2/20 0.33
GABRA2 P47869 2/20 0.33
GABRB2 P47870 2/20 0.33
GABRA4 P48169 2/20 0.33

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
Hydrochloric Acid SCHEMBL3494624 0.99 KDM4E (0.38) KDM4EATMHTTPARP10PARP1
SCHEMBL10257989 0.80 KMT2A (0.35) KDM4ECA1CA2CA4CA7
Hydrochloric Acid SCHEMBL3492403 0.78 KMT2A (0.34) KDM4ECA1CA2CA4CA7
SCHEMBL3493037 0.76 GPR119 (0.41) KDM4EATM
SCHEMBL3493039 0.76 GPR119 (0.41) KDM4EATM
SCHEMBL26052583 0.70 PARP10 (0.43) KDM4EATMHTTPARP10PARP1
Hydrochloric Acid SCHEMBL9847690 0.68 HRH1 (0.30)
SCHEMBL4257856 0.68 KDM4E (0.76) KDM4EATMHTTRAD52CA1
SCHEMBL13339965 0.68 KDM4E (0.40) KDM4EATMHTTPARP10PARP1
Hydrochloric Acid SCHEMBL3491946 0.67 KDM4E (0.74) KDM4EATMHTTRAD52CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100113418-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-06 US disclosed
US-20100113418-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-06 US disclosed
EP-2123652-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-11-25 EP 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-20100113418-A1 HETEROCYCLIC COMPOUND ACACA, ACAT1, CPT1B KDM4E 1143/4885ATM 622/4885HTT 1125/4885

“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.