SCHEMBL3588622

SCHEMBL3588622

CC1NNS(=O)(=O)c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
CA1 P00915 10/20 0.33
CA2 P00918 10/20 0.33
CA12 O43570 3/20 0.33
CA4 P22748 3/20 0.33
CA7 P43166 3/20 0.33
CA9 Q16790 3/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 2/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
BCHE P06276 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
MEN1 O00255 1/20 0.32
NOX1 Q9Y5S8 1/20 0.32
PTGDR2 Q9Y5Y4 2/20 0.32
GPR3 P46089 1/20 0.31

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
SCHEMBL9587069 0.80 ALDH1A1 (0.46) ALDH1A1CA1CA2CA12CA4
SCHEMBL17236157 0.80 ALDH1A1 (0.46) ALDH1A1CA1CA2CA12CA4
SCHEMBL17111280 0.80 ALDH1A1 (0.46) ALDH1A1CA1CA2CA12CA4
SCHEMBL3588752 0.75 ALDH1A1 (0.46) ALDH1A1CA1CA2CA12CA4
SCHEMBL1897009 0.73 TSHR (0.38) ALDH1A1CA1CA2CA12CA4
SCHEMBL3588871 0.69 MEN1 (0.40) ALDH1A1CA1CA2CA12CA7
SCHEMBL16831620 0.68 CA1 (0.63) ALDH1A1CA1CA2CA12CA4
SCHEMBL14301071 0.64 GPR3 (0.48) CA1CA2CA12CA9KMT2A
SCHEMBL9845956 0.64 ALDH1A1 (0.47) ALDH1A1CA1CA2CA12CA4
SCHEMBL11022727 0.64 ALDH1A1 (0.57) ALDH1A1CA1CA2CA12CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100190778-A1 3,4-DIHYDROBENZO[1,2,3]THIADIAZINE-1,1-DIOXIDE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, MEDICAMENTS CONTAINING SAID DERIVATIVES AND THEIR USE EGIS GYOGYSZERGYAR NYILVANOSAN MUKODO RESZVENTARSASAG (HU) 2010-07-29 US disclosed
EP-2064197-A2 3,4-DIHYDROBENZO[1,2,3]THIADIAZINE-1,1-DIOXIDE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, MEDICAMENTS CONTAINING SAID DERIVATIVES AND THEIR USE Egis Gyogyszergyar Nyilvánosan Múködó Részvénytársaság (HU) 2009-06-03 EP disclosed
US-7476667-B2 Indole acetic acids exhibiting CRTH2 receptor antagonism and uses thereof WYETH (US) 2009-01-13 US disclosed
US-20080255100-A1 INDOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF WYETH (US) 2008-10-16 US disclosed
WO-2008020256-A2 3,4-DIHYDROBENZO[1,2,3]THIADIAZINE-1,1-DIOXIDE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, MEDICAMENTS CONTAINING SAID DERIVATIVES AND THEIR USE EGIS GYÓGYSZERGYÁR_Nyilvánosan Müködö Részvénytársaság (HU) 2008-02-21 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 (2 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-20080255100-A1 INDOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF PTGDR2, TBXA2R, HCAR2 ALDH1A1 596/4885CA1 1255/4885CA2 722/4885
US-20100190778-A1 3,4-DIHYDROBENZO[1,2,3]THIADIAZINE-1,1-DIOXIDE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, MEDICAMENTS CONTAINING SAID DERIVATIVES AND THEIR USE TDO2, DHODH, DHPS ALDH1A1 45/4885CA1 2614/4885CA2 1607/4885

“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.