SCHEMBL6318647

SCHEMBL6318647

O=C(Cc1cccc(O)c1)c1cccc(S(=O)(=O)N2CCCCCC2)c1Br

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ MEN1 O00255 5/20 0.44
▸ KMT2A Q03164 5/20 0.44
▸ CNR1 P21554 3/20 0.43
▸ CNR2 P34972 3/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ TP53 P04637 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ MCL1 Q07820 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ GFER P55789 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL11175542 0.77 MEN1 (0.57) TSHRMAPK1MEN1KMT2ACYP3A4
SCHEMBL11181485 0.77 MEN1 (0.57) TSHRMAPK1MEN1KMT2ACYP3A4
SCHEMBL5818539 0.74 SMN1; SMN2 (0.53) TSHRMAPK1MEN1KMT2ACYP3A4
SCHEMBL6267683 0.68 TSHR (0.44) TSHRMAPK1MEN1KMT2ACYP3A4
SCHEMBL23714486 0.67 HPGD (0.63) TSHRKMT2AMAPTALDH1A1
SCHEMBL20901402 0.66 ALOX5 (0.55) TSHRMAPK1MEN1KMT2ACYP3A4
SCHEMBL17838551 0.65 PIK3CA (0.63) MEN1KMT2ACYP3A4TP53MAPT
SCHEMBL28185881 0.65 TSHR (0.50) TSHRMAPK1MEN1KMT2ACNR1
SCHEMBL15848161 0.64 TSHR (0.66) TSHRMAPK1MEN1KMT2ACYP3A4
SCHEMBL2994061 0.64 GAA (0.63) TSHRMEN1KMT2AMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140336178-A1 COMPOSITIONS AND METHODS FOR MODULATING INTERACTION BETWEEN POLYPEPTIDES THE GENERAL HOSPITAL CORPORATION (US) 2014-11-13 — — US claimed
US-20130203733-A1 COMPOSITIONS AND METHODS FOR MODULATING INTERACTION BETWEEN POLYPEPTIDES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-08-08 — — US claimed
US-20050239833-A1 Compositions and methods for modulating interaction between polypeptides MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2005-10-27 — — US claimed
US-20140336178-A1 COMPOSITIONS AND METHODS FOR MODULATING INTERACTION BETWEEN POLYPEPTIDES THE GENERAL HOSPITAL CORPORATION (US) 2014-11-13 — — US disclosed
US-20140336178-A1 COMPOSITIONS AND METHODS FOR MODULATING INTERACTION BETWEEN POLYPEPTIDES THE GENERAL HOSPITAL CORPORATION (US) 2014-11-13 — — US disclosed
US-20140336178-A1 COMPOSITIONS AND METHODS FOR MODULATING INTERACTION BETWEEN POLYPEPTIDES THE GENERAL HOSPITAL CORPORATION (US) 2014-11-13 — — US disclosed
US-20130203733-A1 COMPOSITIONS AND METHODS FOR MODULATING INTERACTION BETWEEN POLYPEPTIDES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-08-08 — — US disclosed
US-20130203733-A1 COMPOSITIONS AND METHODS FOR MODULATING INTERACTION BETWEEN POLYPEPTIDES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-08-08 — — US disclosed
US-20130203733-A1 COMPOSITIONS AND METHODS FOR MODULATING INTERACTION BETWEEN POLYPEPTIDES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-08-08 — — US disclosed
US-8404747-B2 Compositions and methods for modulating interaction between polypeptides THE GENERAL HOSPITAL CORPORATION (US) 2013-03-26 — — US disclosed
US-8404747-B2 Compositions and methods for modulating interaction between polypeptides THE GENERAL HOSPITAL CORPORATION (US) 2013-03-26 — — US disclosed
US-8404747-B2 Compositions and methods for modulating interaction between polypeptides THE GENERAL HOSPITAL CORPORATION (US) 2013-03-26 — — US disclosed
US-20050239833-A1 Compositions and methods for modulating interaction between polypeptides MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2005-10-27 — — 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 (3 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-20050239833-A1 Compositions and methods for modulating interaction between polypeptides IAPP, SERPINA6, SERPINA2 TSHR 2548/4885MAPK1 3023/4885MEN1 1736/4885
US-20130203733-A1 COMPOSITIONS AND METHODS FOR MODULATING INTERACTION BETWEEN POLYPEPTIDES IAPP, SERPINA6, SERPINA2 TSHR 2548/4885MAPK1 3023/4885MEN1 1736/4885
US-20140336178-A1 COMPOSITIONS AND METHODS FOR MODULATING INTERACTION BETWEEN POLYPEPTIDES IAPP, SERPINA6, SERPINA2 TSHR 2548/4885MAPK1 3023/4885MEN1 1736/4885

“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.

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