SCHEMBL631561

SCHEMBL631561

Cc1ccc(S(=O)(=O)ON2CCCCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
VDR P11473 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PKM P14618 3/20 0.49
ALDH1A1 P00352 8/20 0.47
POLB P06746 1/20 0.47
HTT P42858 1/20 0.47
GAA P10253 2/20 0.47
HSD17B10 Q99714 1/20 0.46
KDM4E B2RXH2 3/20 0.45
MAPT P10636 2/20 0.45
TP53 P04637 1/20 0.45
GLA P06280 1/20 0.45
CYP3A4 P08684 1/20 0.45
ALOX12 P18054 1/20 0.45
NFKB1 P19838 1/20 0.45
HPGD P15428 2/20 0.44
RECQL P46063 1/20 0.44
NPSR1 Q6W5P4 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
Water SCHEMBL16927693 0.98 KMT2A (0.49) KMT2AMEN1VDRSMN1; SMN2PKM
SCHEMBL2531424 0.98 VDR (0.51) KMT2AMEN1VDRSMN1; SMN2PKM
SCHEMBL28290954 0.95 PKM (0.53) KMT2AMEN1VDRSMN1; SMN2PKM
SCHEMBL5185491 0.91 VDR (0.54) KMT2AMEN1VDRSMN1; SMN2PKM
SCHEMBL8217662 0.84 CYP2D6 (0.52) KMT2AVDRPKMALDH1A1POLB
SCHEMBL890525 0.83 USP2 (0.48) KMT2AMEN1VDRSMN1; SMN2PKM
SCHEMBL3739465 0.83 VDR (0.51) KMT2AMEN1VDRSMN1; SMN2PKM
SCHEMBL5875363 0.83 VDR (0.47) VDRPKMALDH1A1POLBHTT
SCHEMBL40765 0.81 VDR (0.46) VDRPKMALDH1A1POLBHTT
SCHEMBL15006565 0.81 VDR (0.46) KMT2AMEN1VDRPKMALDH1A1

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 193 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2240466-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF 2-{4-[(3S)-PIPERIDIN-3- YL]PHENYL} -2H-INDAZOLE-7-CARBOXAMIDE Merck Sharp & Dohme Limited (GB) 2010-10-20 EP claimed
WO-2009087381-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF 2-{4-[(3S)-PIPERIDIN-3- YL]PHENYL} -2H-INDAZOLE-7-CARBOXAMIDE MERCK SHARP & DOHME LTD (GB) 2009-07-16 WO claimed
US-3988159-A Light-sensitive material containing nitrone for forming heat-fixed images AMERICAN CAN COMPANY (US) 1976-10-26 US claimed
EP-4479050-A1 USE OF NIRAPARIB FOR THE TREATMENT OF BRAIN CANCER Tesaro, Inc. (US) 2024-12-25 EP disclosed
WO-2023159066-A1 USE OF NIRAPARIB FOR THE TREATMENT OF BRAIN CANCER TESARO, INC. (US) 2023-08-24 WO disclosed
US-20230183222-A1 8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives GRUENENTHAL GMBH (DE) 2023-06-15 US disclosed
EP-2420891-B1 Process for immersion lithography ROHM & HAAS ELECT MAT (US) 2021-06-23 EP disclosed
US-20210179595-A1 8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives Grünenthal GmbH (DE) 2021-06-17 US disclosed
US-10809616-B2 Cholate photoacid generators and photoresists comprising same ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2020-10-20 US disclosed
US-10793556-B2 8-amino-2-oxo-1,3-diaza-spiro-[4.5]-decane derivatives GRUENENTHAL GMBH (DE) 2020-10-06 US disclosed
US-20200222352-A1 FORMULATIONS AND USES OF RETINOIC ACID RECEPTOR SELECTIVE AGONISTS QURETINO THERAPEUTICS, INC. 2020-07-16 US disclosed
WO-2001009076-A2 RETINOIDS FOR THE TREATMENT OF EMPHYSEMA F. HOFFMANN-LA ROCHE AG (CH) 2001-02-08 WO disclosed
WO-2000010056-A9 PHOTOACID GENERATORS AND PHOTORESISTS COMPRISING SAME SHIPLEY CO LLC (US) 2000-06-08 WO disclosed
US-6048672-A RELIEF IMAGES ON SUBSTRATES WITH TITANIUM NITRIDE SURFACES, HEATING, COATING, EXPOSURE AND DEVELOPMENT SHIPLEY COMPANY, L.L.C. (US) 2000-04-11 US disclosed
US-6037107-A EXPOSING TO ACTIVATION RADIATION A POSITIVE WORKING PHOTORESIST COMPRISING AN ALKALI SOLUBLE RESIN SUBSTITUTED WITH AN ACID LABILE BLOCKING GROUP TO GENERATE HALOGENATED SULFONIC ACID BY PHOTOLYSIS SHIPLEY COMPANY, L.L.C. (US) 2000-03-14 US disclosed
WO-2000010056-A1 PHOTOACID GENERATORS AND PHOTORESISTS COMPRISING SAME SHIPLEY COMPANY, L.L.C. (US) 2000-02-24 WO disclosed
EP-0938029-A2 Methods using photoresist compositions and articles produced therewith Shipley Company LLC (US) 1999-08-25 EP disclosed
EP-0666856-A1 4-ARYLMETHYLOXYMETHYL PIPERIDINES AS TACHYKININ ANTAGONISTS MERCK SHARP & DOHME LTD. (GB) 1995-08-16 EP disclosed
US-4343891-A CONVERTING TO COMPOUND HAVING FEWER THAN FOUR CARBON-TO-BORON BONDS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1982-08-10 US disclosed
US-3988159-A Light-sensitive material containing nitrone for forming heat-fixed images AMERICAN CAN COMPANY (US) 1976-10-26 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 (5 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-20210179595-A1 8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, OPRL1 KMT2A 2401/4885MEN1 3826/4885VDR 78/4885
US-10809616-B2 Cholate photoacid generators and photoresists comprising same GGCT, LCAT, SLC7A11 KMT2A 2499/4885MEN1 1307/4885VDR 1408/4885
US-20200222352-A1 FORMULATIONS AND USES OF RETINOIC ACID RECEPTOR SELECTIVE AGONISTS RARA, RARB, RARG KMT2A 3088/4885MEN1 4260/4885VDR 8/4885
US-10793556-B2 8-amino-2-oxo-1,3-diaza-spiro-[4.5]-decane derivatives OPRK1, OPRD1, OPRL1 KMT2A 2401/4885MEN1 3826/4885VDR 78/4885
US-20230183222-A1 8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, OPRL1 KMT2A 2401/4885MEN1 3826/4885VDR 78/4885

“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.