SCHEMBL17442385

SCHEMBL17442385

Cc1ccc(S(=O)(=O)OCC2(Oc3ccc(-c4cnc5ccnn5c4)cc3)COC2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ABL1 P00519 3/20 0.34
TNIK Q9UKE5 1/20 0.34
BCR P11274 2/20 0.33
CA12 O43570 2/20 0.32
KDR P35968 2/20 0.32
CA2 P00918 1/20 0.32
MAOB P27338 1/20 0.32
CA1 P00915 1/20 0.31
CA9 Q16790 1/20 0.31
PRKAB2 O43741 1/20 0.30
FLT1 P17948 1/20 0.30
FLT4 P35916 1/20 0.30
PRKAG1 P54619 1/20 0.30
PRKAA2 P54646 1/20 0.30

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
SCHEMBL17442359 0.85 KDR (0.48) KDRPRKAB2FLT1FLT4PRKAG1
SCHEMBL19110505 0.80 ABL1 (0.38) ABL1TNIKBCRKDRMAOB
SCHEMBL17442009 0.75 CA12 (0.37) ALDH1A1KDM4ELMNACA12CA1
SCHEMBL19110538 0.69 ABL1 (0.37) ALDH1A1KDM4ENPC1LMNARAB9A
SCHEMBL28386482 0.68 CYP3A4 (0.39) ALDH1A1SMN1; SMN2CA12CA2CA1
SCHEMBL690833 0.64 STAT3 (0.40) ALDH1A1SMN1; SMN2CA12CA2CA1
SCHEMBL17442167 0.63 PDE4B (0.39) ALDH1A1KDM4ENPC1LMNARAB9A
SCHEMBL277105 0.63 KMT2A (0.41) ALDH1A1SMN1; SMN2CA12CA2CA1
SCHEMBL17441844 0.63 KDR (0.51) ABL1KDRFLT1FLT4ACVR1
SCHEMBL20898576 0.62 STAT3 (0.41) ALDH1A1LMNASMN1; SMN2CA12CA2

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 4 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
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 ALDH1A1 4748/4885KDM4E 3505/4885NPC1 62/4885

“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.