SCHEMBL4654871

SCHEMBL4654871

O=S(=O)(O)c1ccc2cn[nH]c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 3/20 0.51
CYP3A4 P08684 3/20 0.51
MAPT P10636 2/20 0.51
LMNA P02545 1/20 0.51
ALOX15 P16050 1/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
DYRK1A Q13627 2/20 0.50
ALDH1A1 P00352 2/20 0.50
METAP2 P50579 2/20 0.50
KDM4E B2RXH2 1/20 0.50
PKM P14618 1/20 0.50
HTT P42858 1/20 0.50
FGFR1 P11362 4/20 0.49
FGFR2 P21802 2/20 0.49
FGFR3 P22607 1/20 0.49
CASP6 P55212 2/20 0.47
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 2/20 0.46

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
SCHEMBL31475220 1.00 NOS1 (0.51) NOS1CYP3A4MAPTLMNAALOX15
SCHEMBL3058692 0.86 MAPK1 (0.55) NOS1MAPTMEN1KMT2ADYRK1A
Hydrochloric Acid SCHEMBL27659736 0.84 MAPK1 (0.54) NOS1MAPTMEN1KMT2ADYRK1A
SCHEMBL1076913 0.82 MEN1 (0.55) NOS1CYP3A4MAPTLMNAALOX15
SCHEMBL30485698 0.82 MAPT (0.55) NOS1CYP3A4MAPTLMNAALOX15
SCHEMBL23124425 0.82 MAPT (0.55) NOS1CYP3A4MAPTLMNAALOX15
SCHEMBL8012676 0.82 NOS1 (0.51) NOS1CYP3A4MAPTLMNAALOX15
SCHEMBL25512612 0.78 MEN1 (0.48) NOS1CYP3A4MAPTLMNAALOX15
SCHEMBL11575046 0.77 GAA (0.50) NOS1CYP3A4MAPTLMNAALOX15
Hydrochloric Acid SCHEMBL5336085 0.75 PKM (0.58) MAPTLMNAALDH1A1PKMHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050096309-A1 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-05-05 US claimed
US-10752617-B2 Indazole sulfonamide derivatives as inverse agonists of retinoid-related orphan receptor gamma (ROR gamma (T)) GALDERMA RESEARCH & DEVELOPMENT (FR) 2020-08-25 US disclosed
US-20190202819-A1 INDAZOLE SULFONAMIDE DERIVATIVES AS INVERSE AGONISTS OF RETINOID-RELATED ORPHAN RECEPTOR GAMMA (ROR GAMMA (T)) GALDERMA RESEARCH & DEVELOPMENT (FR) 2019-07-04 US disclosed
US-10246440-B2 Indazole sulfonamide derivatives as inverse agonists of retinoid-related orphan receptor gamma (ROR γ (T)) GALDERMA RESEARCH & DEVELOPMENT (FR) 2019-04-02 US disclosed
US-20170342062-A1 INDAZOLE SULFONAMIDE DERIVATIVES AS INVERSE AGONISTS OF RETINOID-RELATED ORPHAN RECEPTOR GAMMA (ROR GAMMA (T)) GALDERMA RESEARCH & DEVELOPMENT (FR) 2017-11-30 US disclosed
EP-1667635-A4 SULFONYLAMINOVALEROLACTAMS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-01-23 EP disclosed
US-7312218-B2 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors BRISTOL MYERS SQUIBB CO. (US) 2007-12-25 US disclosed
US-20070099922-A1 SULFONYLAMINOVALEROLACTAMS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS HAN WEI 2007-05-03 US disclosed
US-7169795-B2 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors BRISTOL MYERS SQUIBB COMPANY (US) 2007-01-30 US disclosed
EP-1667635-A2 SULFONYLAMINOVALEROLACTAMS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS Bristol-Myers Squibb Company (US) 2006-06-14 EP disclosed
WO-2005048922-A2 SULFONYLAMINOVALEROLACTAMS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-06-02 WO disclosed
US-20050096309-A1 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-05-05 US 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 (6 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-10246440-B2 Indazole sulfonamide derivatives as inverse agonists of retinoid-related orphan receptor gamma (ROR γ (T)) RORA, RORB, RORC NOS1 2823/4885CYP3A4 458/4885MAPT 673/4885
US-20170342062-A1 INDAZOLE SULFONAMIDE DERIVATIVES AS INVERSE AGONISTS OF RETINOID-RELATED ORPHAN RECEPTOR GAMMA (ROR GAMMA (T)) RORA, RORB, RORC NOS1 2915/4885CYP3A4 467/4885MAPT 664/4885
US-20070099922-A1 SULFONYLAMINOVALEROLACTAMS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS TFPI, F12, F5 NOS1 4407/4885CYP3A4 656/4885MAPT 4837/4885
US-20190202819-A1 INDAZOLE SULFONAMIDE DERIVATIVES AS INVERSE AGONISTS OF RETINOID-RELATED ORPHAN RECEPTOR GAMMA (ROR GAMMA (T)) RORA, RORB, RORC NOS1 2915/4885CYP3A4 467/4885MAPT 664/4885
US-10752617-B2 Indazole sulfonamide derivatives as inverse agonists of retinoid-related orphan receptor gamma (ROR gamma (T)) RORA, RORB, RORC NOS1 2915/4885CYP3A4 467/4885MAPT 664/4885
US-20050096309-A1 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors TFPI, F12, F5 NOS1 4407/4885CYP3A4 656/4885MAPT 4837/4885

“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.