SCHEMBL17442153

SCHEMBL17442153

CC1(C)OB(c2ccc(S(N)(=O)=O)c(N)c2)OC1(C)C

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 14/20 0.53
CA2 P00918 14/20 0.53
CA9 Q16790 14/20 0.53
CA12 O43570 2/20 0.53
CA4 P22748 2/20 0.53
CA6 P23280 2/20 0.53
CA5A P35218 2/20 0.53
CA7 P43166 2/20 0.53
CA14 Q9ULX7 2/20 0.53
CA5B Q9Y2D0 2/20 0.53
CA3 P07451 1/20 0.53
LPL P06858 5/20 0.41
LIPG Q9Y5X9 5/20 0.41
CYP2C9 P11712 1/20 0.39
F11 P03951 1/20 0.38

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
SCHEMBL17442456 0.90 CA1 (0.53) CA1CA2CA9CA12CA4
SCHEMBL30519243 0.84 CA1 (0.53) CA1CA2CA9CA12CA4
SCHEMBL17442284 0.84 CA1 (0.53) CA1CA2CA9CA12CA4
SCHEMBL2414926 0.83 CA1 (0.51) CA1CA2CA9CA12CA4
SCHEMBL30519252 0.83 CA1 (0.55) CA1CA2CA9CA12CA4
SCHEMBL17442381 0.83 CA1 (0.55) CA1CA2CA9CA12CA4
SCHEMBL2414637 0.83 CA1 (0.55) CA1CA2CA9CA12CA4
SCHEMBL14487410 0.81 CA1 (0.50) CA1CA2CA9CA12CA4
SCHEMBL22091132 0.81 CA1 (0.50) CA1CA2CA9CA12CA4
SCHEMBL30993446 0.81 LPL (0.50) CA1CA2CA9CA12CA4

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
US-20170197968-A1 Compositions and Methods for Inhibiting BMP NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-07-13 US disclosed
US-20170197968-A1 Compositions and Methods for Inhibiting BMP NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-07-13 US disclosed
US-20170197968-A1 Compositions and Methods for Inhibiting BMP NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-07-13 US disclosed
WO-2016011019-A1 COMPOSITIONS AND METHODS FOR INHIBITING BMP THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2016-01-21 WO disclosed
WO-2016011019-A1 COMPOSITIONS AND METHODS FOR INHIBITING BMP THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2016-01-21 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-20170197968-A1 Compositions and Methods for Inhibiting BMP BMP1, BMP2, BMPR2 CA1 4708/4885CA2 4122/4885CA9 2368/4885

“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.