SCHEMBL8249478

SCHEMBL8249478

C[C@H](N)c1cccc(S(N)(=O)=O)c1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 14/20 0.59
CA1 P00915 7/20 0.59
CA12 O43570 8/20 0.52
CA9 Q16790 7/20 0.52
CA14 Q9ULX7 3/20 0.52
CA4 P22748 2/20 0.52
NOS1 P29475 1/20 0.46
CA5A P35218 2/20 0.45
CA3 P07451 1/20 0.45
CA6 P23280 1/20 0.45
CA7 P43166 1/20 0.45
PLA2G7 Q13093 1/20 0.45
CA13 Q8N1Q1 1/20 0.45
CA5B Q9Y2D0 1/20 0.45
GLO1 Q04760 1/20 0.44

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
SCHEMBL4631093 1.00 CA2 (0.59) CA2CA1CA12CA9CA14
SCHEMBL12052154 1.00 CA2 (0.59) CA2CA1CA12CA9CA14
Hydrochloric Acid SCHEMBL31365115 0.98 CA2 (0.57) CA2CA1CA12CA9CA14
Hydrochloric Acid SCHEMBL7142051 0.98 CA2 (0.57) CA2CA1CA12CA9CA14
SCHEMBL84614 0.86 CA2 (0.61) CA2CA1CA12CA9CA14
SCHEMBL30358121 0.85 ALDH1A1 (0.45) CA2CA1
SCHEMBL3465330 0.85 ALDH1A1 (0.45) CA2CA1
SCHEMBL17061124 0.85 ALDH1A1 (0.45) CA2CA1
SCHEMBL30117178 0.85 ALDH1A1 (0.45) CA2CA1
SCHEMBL26101860 0.85 ALDH1A1 (0.45) CA2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220048889-A1 HETEROAROMATIC COMPOUNDS AS VANIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-02-17 US disclosed
WO-2020114947-A1 HETEROAROMATIC COMPOUNDS AS VANIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-06-11 WO disclosed
US-8076330-B2 Dipeptidyl peptidase-IV inhibitors AMGEN INC. (US) 2011-12-13 US disclosed
US-20110112051-A1 Dipeptidyl Peptidase-IV Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2011-05-12 US disclosed
US-20100009961-A1 DIPEPTIDYL PEPTIDASE-IV INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2010-01-14 US disclosed
US-7553861-B2 Dipeptidyl peptidase-IV inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-06-30 US disclosed
WO-2006116157-A9 DIPEPTIDYL PEPTIDASE-IV INHIBITORS ALANTOS PHARMACEUTICALS INC (US) 2007-03-01 WO disclosed
WO-2006116157-A2 DIPEPTIDYL PEPTIDASE-IV INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2006-11-02 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-20100009961-A1 DIPEPTIDYL PEPTIDASE-IV INHIBITORS DPP4, DPP3, DPP7 CA2 1107/4885CA1 3219/4885CA12 2671/4885
US-20220048889-A1 HETEROAROMATIC COMPOUNDS AS VANIN INHIBITORS VHL, FANCI, PAH CA2 3104/4885CA1 4685/4885CA12 4325/4885
US-20110112051-A1 Dipeptidyl Peptidase-IV Inhibitors DPP4, DPP3, DPP7 CA2 1107/4885CA1 3219/4885CA12 2671/4885

“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.