SCHEMBL15944722

SCHEMBL15944722

Cc1ccc(S(=O)(=O)OC[C@H]2CC[C@H](NC(=O)OCc3ccccc3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
GAA P10253 1/20 0.56
TSHR P16473 1/20 0.54
EPHX1 P07099 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
F13A1 P00488 1/20 0.47
TGM2 P21980 1/20 0.47
TGM1 P22735 1/20 0.47
CA1 P00915 4/20 0.46
CA2 P00918 4/20 0.46
PKM P14618 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 1/20 0.46
DPP4 P27487 3/20 0.45
DPP7 Q9UHL4 3/20 0.45
KCNH2 Q12809 1/20 0.45
ACHE P22303 1/20 0.45
GPR55 Q9Y2T6 1/20 0.45

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
SCHEMBL17329132 1.00 ALDH1A1 (0.56) ALDH1A1GAATSHREPHX1MEN1
SCHEMBL31402060 0.82 ALDH1A1 (0.41) ALDH1A1GAATSHREPHX1MEN1
SCHEMBL15204759 0.81 ALDH1A1 (0.49) ALDH1A1GAATSHREPHX1MEN1
SCHEMBL15204757 0.81 ALDH1A1 (0.49) ALDH1A1GAATSHREPHX1MEN1
SCHEMBL8069476 0.81 HPGD (0.47) ALDH1A1GAATSHRMEN1KMT2A
SCHEMBL140115 0.80 ALDH1A1 (0.43) ALDH1A1GAATSHRMEN1KMT2A
SCHEMBL3401836 0.80 CTSL (0.45) ALDH1A1GAATSHRMEN1KMT2A
SCHEMBL9885083 0.80 DRD2 (0.46) ALDH1A1MEN1KMT2A
SCHEMBL942085 0.80 DRD2 (0.46) ALDH1A1MEN1KMT2A
SCHEMBL942084 0.80 DRD2 (0.46) ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2955181-B1 TRICYCLIC PYRROLOPYRIDINE COMPOUND, AND JAK INHIBITOR NISSAN CHEMICAL CORP (JP) 2019-10-30 EP disclosed
US-9475813-B2 Tricyclic pyrrolopyridine compound, and JAK inhibitor NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-10-25 US disclosed
US-9475813-B2 Tricyclic pyrrolopyridine compound, and JAK inhibitor NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-10-25 US disclosed
US-9475813-B2 Tricyclic pyrrolopyridine compound, and JAK inhibitor NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-10-25 US disclosed
US-20150368245-A1 TRICYCLIC PYRROLOPYRIDINE COMPOUND, AND JAK INHIBITOR NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-12-24 US disclosed
US-20150368245-A1 TRICYCLIC PYRROLOPYRIDINE COMPOUND, AND JAK INHIBITOR NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-12-24 US disclosed
US-20150368245-A1 TRICYCLIC PYRROLOPYRIDINE COMPOUND, AND JAK INHIBITOR NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-12-24 US disclosed
EP-2955181-A1 TRICYCLIC PYRROLOPYRIDINE COMPOUND, AND JAK INHIBITOR Nissan Chemical Industries, Ltd. (JP) 2015-12-16 EP disclosed
EP-2955181-A1 TRICYCLIC PYRROLOPYRIDINE COMPOUND, AND JAK INHIBITOR Nissan Chemical Industries, Ltd. (JP) 2015-12-16 EP disclosed
WO-2014123167-A1 TRICYCLIC PYRROLOPYRIDINE COMPOUND, AND JAK INHIBITOR 日産化学工業株式会社 (JP) 2014-08-14 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 (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-20150368245-A1 TRICYCLIC PYRROLOPYRIDINE COMPOUND, AND JAK INHIBITOR JAK1, JAK2, JAK3 ALDH1A1 3494/4885GAA 4353/4885TSHR 1237/4885

“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.