SCHEMBL3196554

SCHEMBL3196554

CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3c(ccn3CC(=O)N3CCC(C(=O)O)CC3)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
PTPN5 P54829 1/20 0.43
NR1I2 O75469 1/20 0.43
HTR6 P50406 1/20 0.42
UQCRB P14927 1/20 0.42
TGFBR1 P36897 1/20 0.41
SERPINE1 P05121 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
NTSR1 P30989 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
RORC P51449 2/20 0.40
LMNA P02545 1/20 0.40
F2 P00734 1/20 0.40
ATM Q13315 1/20 0.40

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
SCHEMBL3193216 0.88 SERPINE1 (0.47) NR1I2HTR6UQCRBSERPINE1NTSR1
SCHEMBL3195564 0.86 SERPINE1 (0.43) HTR6SERPINE1MAPTRORCLMNA
SCHEMBL3183923 0.85 CRHBP (0.47) ALDH1A1NR1I2SERPINE1CRHBPCRHR2
SCHEMBL27739286 0.85 F2 (0.36) NR1I2NTSR1LMNAF2ATM
SCHEMBL27739287 0.84 F2 (0.36) NTSR1LMNAF2ATM
SCHEMBL3195492 0.78 NTSR1 (0.62) ALDH1A1HTR6NTSR1MEN1KMT2A
SCHEMBL3193765 0.75 NTSR1 (0.70) NTSR1
SCHEMBL3185508 0.75 EPHX2 (0.62) ALDH1A1PTPN5NR1I2SERPINE1MEN1
SCHEMBL3193084 0.73 NTSR1 (0.59) ALDH1A1NR1I2HTR6SERPINE1NTSR1
SCHEMBL3328211 0.73 NTSR1 (0.59) ALDH1A1NR1I2HTR6SERPINE1NTSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137363-A1 Substituted Indoles And Methods Of Their Use WYETH LLC (US) 2010-06-03 US claimed
EP-1919866-A2 SUBSTITUTED INDOLES AND USE THEREOF Wyeth a Corporation of the State of Delaware (US) 2008-05-14 EP claimed
US-20070043101-A1 Substituted indoles and methods of their use WYETH (US) 2007-02-22 US claimed
WO-2007022321-A2 SUBSTITUTED INDOLES AND USE THEREOF WYETH (US) 2007-02-22 WO claimed
US-20100137363-A1 Substituted Indoles And Methods Of Their Use WYETH LLC (US) 2010-06-03 US disclosed
US-7683091-B2 Substituted indoles and methods of their use WYETH (US) 2010-03-23 US disclosed
EP-1919866-A2 SUBSTITUTED INDOLES AND USE THEREOF Wyeth a Corporation of the State of Delaware (US) 2008-05-14 EP disclosed
US-20070043101-A1 Substituted indoles and methods of their use WYETH (US) 2007-02-22 US disclosed
WO-2007022321-A2 SUBSTITUTED INDOLES AND USE THEREOF WYETH (US) 2007-02-22 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 (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-20070043101-A1 Substituted indoles and methods of their use INMT, AANAT, IDO2 ALDH1A1 337/4885PTPN5 3678/4885NR1I2 2818/4885
US-20100137363-A1 Substituted Indoles And Methods Of Their Use INMT, AANAT, IDO2 ALDH1A1 337/4885PTPN5 3678/4885NR1I2 2818/4885

“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.