SCHEMBL14357948

SCHEMBL14357948

Cc1ccc(S(=O)(=O)OCC(N=[N+]=[N-])C(O)COCc2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TACR1 P25103 1/20 0.38
LMNA P02545 5/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA4 P22748 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
KMT2A Q03164 1/20 0.37
MAPT P10636 2/20 0.36
GAA P10253 2/20 0.36
PKM P14618 1/20 0.36
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
AR P10275 1/20 0.35

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
SCHEMBL14358112 1.00 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2TACR1LMNACA1
SCHEMBL14358263 1.00 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2TACR1LMNACA1
SCHEMBL14357946 1.00 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2TACR1LMNACA1
SCHEMBL14361621 0.88 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2LMNACA1CA2
SCHEMBL15983035 0.83 PLA2G2C (0.40) ALDH1A1SMN1; SMN2LMNACA1CA2
SCHEMBL15983677 0.83 PLA2G2C (0.40) ALDH1A1SMN1; SMN2LMNACA1CA2
SCHEMBL15983269 0.83 PLA2G2C (0.40) ALDH1A1SMN1; SMN2LMNACA1CA2
SCHEMBL15979285 0.82 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2LMNACA1CA2
SCHEMBL28581384 0.80 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2TACR1LMNACA1
SCHEMBL28581383 0.80 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2TACR1LMNACA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140243302-A1 BRIDGED BICYCLIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME CORPORATION (US) 2014-08-28 US disclosed
EP-2723737-A1 BRIDGED BICYCLIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS Kyorin Pharmaceutical Co., Ltd. (JP) 2014-04-30 EP disclosed
WO-2013003383-A1 BRIDGED BICYCLIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS KYORIN PHARMACEUTICAL CO., LTD. (JP) 2013-01-03 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 (1 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-20140243302-A1 BRIDGED BICYCLIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS PAICS, SBDS, SORD ALDH1A1 802/4885SMN1; SMN2 3510/4885TACR1 2642/4885

“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.