SCHEMBL17738540

SCHEMBL17738540

CC1CN(c2cccc3[nH]ncc23)CCN1S(C)(=O)=O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
RECQL P46063 1/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.43
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
TRPV1 Q8NER1 4/20 0.41
LRRK2 Q5S007 1/20 0.41
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
ATR Q13535 3/20 0.39
CHEK1 O14757 1/20 0.39
PDCD1 Q15116 1/20 0.39
ATRIP Q8WXE1 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
C5AR1 P21730 1/20 0.38
NOS1 P29475 1/20 0.36
HSD11B1 P28845 3/20 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
SCHEMBL17739322 0.82 ALDH1A1 (0.50) ALDH1A1RECQLKDM4ELMNALRRK2
SCHEMBL17738485 0.81 TRPV1 (0.45) TRPV1
SCHEMBL17738539 0.80 ALDH1A1 (0.52) ALDH1A1LMNAJAK2JAK1TRPV1
SCHEMBL21894786 0.79 TRPV1 (0.40) TRPV1LRRK2IDO1NOS1
SCHEMBL17738867 0.76 ALDH1A1 (0.48) ALDH1A1JAK2JAK1TRPV1LRRK2
SCHEMBL30146781 0.75 ROCK2 (0.43) ALDH1A1LMNATRPV1LRRK2IDO1
SCHEMBL18324788 0.75 KDM4E (0.46) ALDH1A1RECQLKDM4ELMNALRRK2
SCHEMBL17739258 0.74 IDO1 (0.69) JAK2JAK1TRPV1IDO1TDO2
SCHEMBL17738491 0.74 TRPV1 (0.46) ALDH1A1LMNAJAK2JAK1TRPV1
SCHEMBL17738480 0.73 TRPV1 (0.44) JAK2JAK1TRPV1LRRK2NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11130738-B2 Pharmaceutical compound IOMET PHARMA LTD. (GB) 2021-09-28 US disclosed
US-20200172492-A1 PHARMACEUTICAL COMPOUND IOMET PHARMA LTD. (GB) 2020-06-04 US disclosed
US-10590086-B2 Pharmaceutical compound IOMET PHARMA LTD. (GB) 2020-03-17 US disclosed
WO-2016071293-A2 PHARMACEUTICAL COMPOUND IOMET PHARMA LTD (GB) 2016-05-12 WO 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 (3 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-11130738-B2 Pharmaceutical compound IDO1, TDO2, IDO2 ALDH1A1 1976/4885RECQL 1857/4885KDM4E 428/4885
US-20200172492-A1 PHARMACEUTICAL COMPOUND IDO1, TDO2, IDO2 ALDH1A1 1976/4885RECQL 1857/4885KDM4E 428/4885
US-10590086-B2 Pharmaceutical compound IDO1, TDO2, IDO2 ALDH1A1 1976/4885RECQL 1857/4885KDM4E 428/4885

“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.