SCHEMBL2811342

SCHEMBL2811342

Nc1ccc(S(=O)(=O)c2ccc(N)c(Br)c2)cc1Br

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 11/20 0.76
CA1 P00915 10/20 0.76
CA9 Q16790 10/20 0.76
CA12 O43570 5/20 0.76
CA4 P22748 4/20 0.76
CA6 P23280 4/20 0.76
CA5A P35218 4/20 0.76
CA7 P43166 4/20 0.76
CA14 Q9ULX7 4/20 0.76
CA5B Q9Y2D0 4/20 0.76
HTR6 P50406 3/20 0.55
PKM P14618 2/20 0.55
ALDH1A1 P00352 2/20 0.55
GAA P10253 3/20 0.52
MAPT P10636 2/20 0.52
CA3 P07451 1/20 0.46
LMNA P02545 2/20 0.46
MPO P05164 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
SCHEMBL7187819 0.92 HTR6 (0.69) CA2CA1CA9CA12CA4
SCHEMBL11216559 0.90 CA1 (0.63) CA2CA1CA9CA12CA4
SCHEMBL7186604 0.87 LMNA (0.69) CA2CA1CA9CA12CA4
SCHEMBL30351262 0.86 CA2 (1.00) CA2CA1CA9CA12CA4
SCHEMBL878968 0.86 CA2 (1.00) CA2CA1CA9CA12CA4
SCHEMBL7190271 0.86 CA2 (0.58) CA2CA1CA9CA12CA4
SCHEMBL8492996 0.83 CA2 (0.70) CA2CA1CA9CA12CA4
SCHEMBL3434572 0.83 CA2 (0.70) CA2CA1CA9CA12CA4
SCHEMBL10694524 0.83 CA2 (0.70) CA2CA1CA9CA12CA4
SCHEMBL7769757 0.83 CA2 (0.70) CA2CA1CA9CA12CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286353-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF FUJIFILM CORPORATION (JP) 2010-11-11 US disclosed
CN-101868444-A Acetylenic compound, salt thereof, condensate thereof, and composition thereof FUJIFILM CORP 2010-10-20 CN disclosed
US-20100240908-A1 ACETYLENE COMPOUND FUJIFILM CORPORATION (JP) 2010-09-23 US disclosed
CN-101808982-A Acetylene compound FUJIFILM CORP 2010-08-18 CN disclosed
EP-2202221-A1 ACETYLENE COMPOUND Fujifilm Corporation (JP) 2010-06-30 EP disclosed
EP-2202220-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF Fujifilm Corporation (JP) 2010-06-30 EP disclosed
US-7139460-B2 Optical element, method of producing optical elements, coating device, and coating method HITACHI CHEMICAL COMPANY, LTD. (JP) 2006-11-21 US disclosed
US-20060251379-A1 Optical element, process for producing optical element, coating equipment, and coating method KURODA TOSHIHIRO 2006-11-09 US disclosed
US-20040234222-A1 Optical element, method of producing optical elements, coating device, and coating method HITACHI CHEMICAL COMPANY, LTD. (JP) 2004-11-25 US disclosed
US-6810181-B2 LAYER OF A FLUORINE-CONTAINING POLYIMIDE AND A LAYER OF A FLUORINE-FREE RESIN IS INTERPOSED BETWEEN THE POLYIMIDE LAYER AND THE ELECTRODE HITACHI CHEMICAL CO., LTD. (JP) 2004-10-26 US disclosed
US-20040096161-A1 Electrode structure HITACHI CHEMICAL CO., LTD. (JP) 2004-05-20 US disclosed
US-20030064235-A1 Optical members made of polymide resins MITSUI CHEMICALS, INC. (JP) 2003-04-03 US disclosed
US-20030054184-A1 Optical element, method for the production thereof and optical module HITACHI CHEMICAL CO., LTD. (JP) 2003-03-20 US disclosed
EP-1237015-A1 OPTICAL MEMBERS MADE OF POLYIMIDE RESINS Mitsui Chemicals, Inc. (JP) 2002-09-04 EP disclosed
US-6001277-A Liquid-crystal alignment film HITACHI CHEMICAL COMPANY, LTD. (JP) 1999-12-14 US disclosed
US-5571579-A FORMING A POLYIMIDE FILM AND RUBBING THE SURFACE OF THE FILM HITACHI CHEMICAL COMPANY, LTD (JP) 1996-11-05 US disclosed
EP-0450926-B1 Fluorine-containing polyimides and precursors thereof HITACHI CHEMICAL CO LTD (JP) 1996-07-31 EP disclosed
US-5401878-A Fluorinated unsaturated alkyl ether aryldiamines for polyimide polymers with heat resistance and waterproofing HITACHI CHEMICAL COMPANY, LTD. (JP) 1995-03-28 US disclosed
US-5270438-A Fluorine-containing polyimides and precursors thereof HITACHI CHEMICAL COMPANY, LTD. (JP) 1993-12-14 US disclosed
EP-0450926-A2 Fluorine-containing polyimides and precursors thereof Hitachi Chemical Co., Ltd. (JP) 1991-10-09 EP 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-20100240908-A1 ACETYLENE COMPOUND NAT1, KATNA1, KAT2B CA2 1282/4885CA1 1402/4885CA9 1973/4885
US-20100286353-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF KAT8, HDAC10, SSRP1 CA2 831/4885CA1 172/4885CA9 1302/4885

“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.