SCHEMBL2614387

SCHEMBL2614387

O=S(=O)(Nc1ccc2ccccc2c1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 1.00
LMNA P02545 2/20 1.00
AKR1C3 P42330 1/20 0.70
PKM P14618 2/20 0.67
PGR P06401 2/20 0.67
PKLR P30613 1/20 0.67
ATM Q13315 1/20 0.66
KMT2A Q03164 5/20 0.65
MEN1 O00255 4/20 0.65
ALDH1A1 P00352 4/20 0.63
CA1 P00915 1/20 0.62
CA2 P00918 1/20 0.62
KEAP1 Q14145 2/20 0.62
IL1RN P18510 1/20 0.62
ERAP1 Q9NZ08 1/20 0.62
BRD4 O60885 1/20 0.60
BRD1 O95696 1/20 0.60
BRPF1 P55201 1/20 0.60
BRD9 Q9H8M2 1/20 0.60
BRPF3 Q9ULD4 1/20 0.60

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
SCHEMBL9175506 0.86 SMN1; SMN2 (0.76) SMN1; SMN2LMNAPKMPGRPKLR
SCHEMBL27500195 0.86 SMN1; SMN2 (0.76) SMN1; SMN2LMNAAKR1C3PKMPGR
SCHEMBL28396503 0.85 PGR (0.77) SMN1; SMN2LMNAAKR1C3PKMPGR
SCHEMBL29549847 0.85 PGR (0.77) SMN1; SMN2LMNAAKR1C3PKMPGR
SCHEMBL20021987 0.85 PGR (0.77) SMN1; SMN2LMNAAKR1C3PKMPGR
SCHEMBL14629169 0.83 LMNA (0.71) SMN1; SMN2LMNAAKR1C3PKMPGR
SCHEMBL9479593 0.83 PGR (0.73) SMN1; SMN2LMNAAKR1C3PKMPGR
SCHEMBL3242583 0.82 SMN1; SMN2 (0.69) SMN1; SMN2LMNAAKR1C3PKMPGR
SCHEMBL28316252 0.82 LMNA (0.69) SMN1; SMN2LMNAPKMPGRPKLR
SCHEMBL10356533 0.82 LMNA (0.69) SMN1; SMN2LMNAAKR1C3PKMPGR

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
EP-0542556-B1 Thermosensitive recording material NEW OJI PAPER CO LTD (JP) 1995-07-19 EP claimed
CN-108976178-B Preparation method of chiral sulfonamide organic compound 云南民族大学 2020-06-05 CN disclosed
US-20120095044-A1 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION Sanford-Burnham Medical Research Institute California 2012-04-19 US disclosed
US-8119693-B2 Tissue non-specific alkaline phosphatase inhibitors and uses thereof for treating vascular calcification SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2012-02-21 US disclosed
US-20090156560-A1 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2009-06-18 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 (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-20120095044-A1 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION ALPL, CNDP2, ALPI SMN1; SMN2 4792/4885LMNA 2775/4885AKR1C3 3202/4885
US-20090156560-A1 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION ALPL, CNDP2, ALPI SMN1; SMN2 4792/4885LMNA 2775/4885AKR1C3 3202/4885

“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.