SCHEMBL786748

SCHEMBL786748

Cc1ccc(C(=O)c2cn(S(=O)(=O)c3ccccc3)c(-c3ccc(C)cc3)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.45
NR1H3 Q13133 2/20 0.45
LMNA P02545 2/20 0.44
GABRA2 P47869 1/20 0.44
GABRB2 P47870 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA9 Q16790 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
HSD11B1 P28845 1/20 0.41
POLB P06746 2/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 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
SCHEMBL724831 0.97 NR1H2 (0.48) NR1H2NR1H3LMNAGABRA2GABRB2
SCHEMBL786733 0.94 GABRA2 (0.43) NR1H2NR1H3LMNAGABRA2GABRB2
SCHEMBL723249 0.94 NR1H2 (0.41) NR1H2NR1H3LMNAGABRA2GABRB2
SCHEMBL15151734 0.92 GABRA2 (0.46) LMNAGABRA2GABRB2CA1CA2
SCHEMBL786792 0.90 CA1 (0.42) NR1H2NR1H3LMNAGABRA2GABRB2
SCHEMBL723239 0.86 SMN1; SMN2 (0.42) CA1CA2CA4CA9HSD11B1
SCHEMBL724132 0.86 GABRA2 (0.46) GABRA2GABRB2CA1CA2CA4
SCHEMBL725068 0.85 TUBB4A (0.54) CA1CA2CA9
SCHEMBL724319 0.84 MAPT (0.45) GABRA2GABRB2CA1CA2CA4
SCHEMBL724744 0.84 GABRA2 (0.44) GABRA2GABRB2CA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230321045-A1 METHODS OF TREATING INFLUENZA AND POXVIRUS VIRAL INFECTIONS VERU INC. (US) 2023-10-12 US disclosed
US-20230265081-A1 METHODS OF TREATING CORONAVIRUS VERU INC. (US) 2023-08-24 US disclosed
US-11648236-B2 Methods of treating coronavirus VERU INC. (US) 2023-05-16 US disclosed
US-20170226086-A1 COMPOUNDS FOR TREATMENT OF CANCER GTx. Inc. (US) 2017-08-10 US disclosed
US-9447049-B2 Compounds for treatment of cancer UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2016-09-20 US disclosed
US-9334242-B2 Compounds for treatment of cancer GTX, INC. (US) 2016-05-10 US disclosed
US-8822513-B2 Compounds for treatment of cancer GTX, INC. (US) 2014-09-02 US disclosed
US-20130197049-A1 COMPOUNDS FOR TREATMENT OF CANCER UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2013-08-01 US disclosed
US-20120071524-A1 COMPOUNDS FOR TREATMENT OF CANCER ONCTERNAL THERAPEUTICS, INC 2012-03-22 US disclosed
US-20110257196-A1 COMPOUNDS FOR TREATMENT OF CANCER ONCTERNAL THERAPEUTICS, INC 2011-10-20 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 (7 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-20120071524-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 NR1H2 2358/4885NR1H3 2134/4885LMNA 3427/4885
US-20130197049-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 NR1H2 2358/4885NR1H3 2134/4885LMNA 3427/4885
US-20230321045-A1 METHODS OF TREATING INFLUENZA AND POXVIRUS VIRAL INFECTIONS TUBB3, TUBB1, TUBB NR1H2 2839/4885NR1H3 2394/4885LMNA 588/4885
US-20230265081-A1 METHODS OF TREATING CORONAVIRUS TUBB3, TUBB1, TUBB NR1H2 2541/4885NR1H3 2199/4885LMNA 1035/4885
US-20170226086-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 NR1H2 2358/4885NR1H3 2134/4885LMNA 3427/4885
US-20110257196-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 NR1H2 2358/4885NR1H3 2134/4885LMNA 3427/4885
US-11648236-B2 Methods of treating coronavirus TUBB3, TUBB1, TUBB NR1H2 2541/4885NR1H3 2199/4885LMNA 1035/4885

“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.